AI48544
348636-05-5 | 1-Benzyl-4-(benzylamino)pyrrolidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI48544
ChemicalName
1-Benzyl-4-(benzylamino)pyrrolidin-2-one
CasNumber
348636-05-5
MolecularFormula
C18H20N2O
MolecularWeight
280.3642
MdlNumber
MFCD29059429
Smiles
O=C1CC(CN1Cc1ccccc1)NCc1ccccc1
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AI48544
ChemicalName: 1-Benzyl-4-(benzylamino)pyrrolidin-2-one
CasNumber: 348636-05-5
MolecularFormula: C18H20N2O
MolecularWeight: 280.3642
MdlNumber: MFCD29059429
Smiles: O=C1CC(CN1Cc1ccccc1)NCc1ccccc1
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AI48544
ChemicalName:
1-Benzyl-4-(benzylamino)pyrrolidin-2-one
CasNumber:
348636-05-5
MolecularFormula:
C18H20N2O
MolecularWeight:
280.3642
MdlNumber:
MFCD29059429
Smiles:
O=C1CC(CN1Cc1ccccc1)NCc1ccccc1
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
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Smiles: CC[C@@H](C(=O)CC(=O)[C@H](CC)C)C
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC[C@@H](C(=O)CC(=O)[C@H](CC)C)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C1OOC(=O)C21CCC2
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MolecularWeight:
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Smiles:
O=C1OOC(=O)C21CCC2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCOC(=O)/C=C/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCOC(=O)/C=C/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__