AC97009
91246-24-1 | 3-(2-Methoxyphenyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AC97009
ChemicalName
3-(2-Methoxyphenyl)pyrrolidine
CasNumber
91246-24-1
MolecularFormula
C11H15NO
MolecularWeight
177.2429
MdlNumber
MFCD06659027
Smiles
COc1ccccc1C1CNCC1
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AC97009
ChemicalName: 3-(2-Methoxyphenyl)pyrrolidine
CasNumber: 91246-24-1
MolecularFormula: C11H15NO
MolecularWeight: 177.2429
MdlNumber: MFCD06659027
Smiles: COc1ccccc1C1CNCC1
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AC97009
ChemicalName:
3-(2-Methoxyphenyl)pyrrolidine
CasNumber:
91246-24-1
MolecularFormula:
C11H15NO
MolecularWeight:
177.2429
MdlNumber:
MFCD06659027
Smiles:
COc1ccccc1C1CNCC1
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCc1ccc(cc1)OCC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1ccc(cc1)OCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AC97012
ChemicalName: (E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CasNumber: 912444-89-4
MolecularFormula: C14H23NO4
MolecularWeight: 269.3367
MdlNumber: MFCD11114566
Smiles: CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AC97012
ChemicalName:
(E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CasNumber:
912444-89-4
MolecularFormula:
C14H23NO4
MolecularWeight:
269.3367
MdlNumber:
MFCD11114566
Smiles:
CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC[C@]1(C)c1nc2c([nH]1)c(ccc2)C(=O)N)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC[C@]1(C)c1nc2c([nH]1)c(ccc2)C(=O)N)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__