AA14626
116041-19-1 | 1-Benzyl-5-oxo-3-pyrrolidinecarboxamide
Manufacturer: A2B Chem
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CatalogNumber
AA14626
ChemicalName
1-Benzyl-5-oxo-3-pyrrolidinecarboxamide
CasNumber
116041-19-1
MolecularFormula
C12H14N2O2
MolecularWeight
218.25176000000008
MdlNumber
MFCD00173111
Smiles
NC(=O)C1CN(C(=O)C1)Cc1ccccc1
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AA14626
ChemicalName: 1-Benzyl-5-oxo-3-pyrrolidinecarboxamide
CasNumber: 116041-19-1
MolecularFormula: C12H14N2O2
MolecularWeight: 218.25176000000008
MdlNumber: MFCD00173111
Smiles: NC(=O)C1CN(C(=O)C1)Cc1ccccc1
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AA14626
ChemicalName:
1-Benzyl-5-oxo-3-pyrrolidinecarboxamide
CasNumber:
116041-19-1
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.25176000000008
MdlNumber:
MFCD00173111
Smiles:
NC(=O)C1CN(C(=O)C1)Cc1ccccc1
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
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Smiles: O=c1[nH]c2c([nH]1)cc(c(n2)C)Br
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Smiles:
O=c1[nH]c2c([nH]1)cc(c(n2)C)Br
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: OC(=O)CCNS(=O)(=O)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCNS(=O)(=O)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__