4-amino-1-benzoylpyrrolidin-2-one

C11H12N2O2 — CID 112534683

IUPAC4-amino-1-benzoylpyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C11H12N2O2/c12-9-6-10(14)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2
InChIKeyIGRALJWZUFKWAM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.39
Rot. Bonds1

About 4-amino-1-benzoylpyrrolidin-2-one

4-amino-1-benzoylpyrrolidin-2-one (PubChem CID 112534683) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-amino-1-benzoylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-benzoylpyrrolidin-2-one
PubChem CID112534683
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-amino-1-benzoylpyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C11H12N2O2/c12-9-6-10(14)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2
InChIKeyIGRALJWZUFKWAM-UHFFFAOYSA-N
XLogP0.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
CID 112534687
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
CID 23466259
4-amino-1-(4-ethoxybenzoyl)pyrrolidin-2-one
CID 112534737
1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
3-benzoyl-1,3-oxazolidin-4-one
CID 70346533
(5aR,9aS)-4-benzoyl-5a,6,7,8,9,9a-hexahydro-5H-benzo[f][1,4]oxazepin-3-one
CID 10333493
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
(5R)-3-benzoyl-5-phenyl-1,3-oxazolidin-2-one
CID 102481694
1-benzoyl-3-bromopyrrolidine-2,5-dione
CID 150359306
(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone
CID 15712470

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzoylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-benzoylpyrrolidin-2-one (CID 112534683) is 4-amino-1-benzoylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-benzoylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-benzoylpyrrolidin-2-one is NC1CC(=O)N(C(=O)c2ccccc2)C1.
What is the InChIKey of 4-amino-1-benzoylpyrrolidin-2-one?
The InChIKey is IGRALJWZUFKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9-6-10(14)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2.
What are the key properties of 4-amino-1-benzoylpyrrolidin-2-one?
4-amino-1-benzoylpyrrolidin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzoylpyrrolidin-2-one is sourced from PubChem (CID 112534683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).