AB48535
923009-50-1 | tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48535
ChemicalName
tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CasNumber
923009-50-1
MolecularFormula
C13H22N2O3
MolecularWeight
254.3254
MdlNumber
MFCD11227060
Smiles
O=C(N1CCCC2(C1)CCNC2=O)OC(C)(C)C
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB48535
ChemicalName: tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CasNumber: 923009-50-1
MolecularFormula: C13H22N2O3
MolecularWeight: 254.3254
MdlNumber: MFCD11227060
Smiles: O=C(N1CCCC2(C1)CCNC2=O)OC(C)(C)C
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB48535
ChemicalName:
tert-Butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CasNumber:
923009-50-1
MolecularFormula:
C13H22N2O3
MolecularWeight:
254.3254
MdlNumber:
MFCD11227060
Smiles:
O=C(N1CCCC2(C1)CCNC2=O)OC(C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AB48536
ChemicalName: 5-Formyl-3-pyridinecarbonitrile
CasNumber: 70416-53-4
MolecularFormula: C7H4N2O
MolecularWeight: 132.1195
MdlNumber: MFCD07367908
Smiles: O=Cc1cncc(c1)C#N
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB48536
ChemicalName:
5-Formyl-3-pyridinecarbonitrile
CasNumber:
70416-53-4
MolecularFormula:
C7H4N2O
MolecularWeight:
132.1195
MdlNumber:
MFCD07367908
Smiles:
O=Cc1cncc(c1)C#N
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ON1C(C)(C)CCCC1(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ON1C(C)(C)CCCC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__