AA55373
1221818-08-1 | tert-Butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA55373
ChemicalName
tert-Butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
CasNumber
1221818-08-1
MolecularFormula
C13H22N2O3
MolecularWeight
254.3254
MdlNumber
MFCD15071621
Smiles
O=C(N1CCCCC21CCNC2=O)OC(C)(C)C
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AA55373
ChemicalName: tert-Butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
CasNumber: 1221818-08-1
MolecularFormula: C13H22N2O3
MolecularWeight: 254.3254
MdlNumber: MFCD15071621
Smiles: O=C(N1CCCCC21CCNC2=O)OC(C)(C)C
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AA55373
ChemicalName:
tert-Butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
CasNumber:
1221818-08-1
MolecularFormula:
C13H22N2O3
MolecularWeight:
254.3254
MdlNumber:
MFCD15071621
Smiles:
O=C(N1CCCCC21CCNC2=O)OC(C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CC2N(C1CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CC2N(C1CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C2CC3CC(C2)(CC1C3O)CN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1C2CC3CC(C2)(CC1C3O)CN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA55376
ChemicalName: (Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber: 1221794-83-7
MolecularFormula: C9H7N3O4
MolecularWeight: 221.1696
MdlNumber: MFCD16036153
Smiles: N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC
Complexity: 473
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AA55376
ChemicalName:
(Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber:
1221794-83-7
MolecularFormula:
C9H7N3O4
MolecularWeight:
221.1696
MdlNumber:
MFCD16036153
Smiles:
N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC
Complexity:
473
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8