1-(3-aminophenyl)pyrrolidin-3-one

C10H12N2O — CID 115014711

IUPAC1-(3-aminophenyl)pyrrolidin-3-one
SMILESNc1cccc(N2CCC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-8-2-1-3-9(6-8)12-5-4-10(13)7-12/h1-3,6H,4-5,7,11H2
InChIKeyBWKYUBQWSBTRDC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds1

About 1-(3-aminophenyl)pyrrolidin-3-one

1-(3-aminophenyl)pyrrolidin-3-one (PubChem CID 115014711) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3-aminophenyl)pyrrolidin-3-one
PubChem CID115014711
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(3-aminophenyl)pyrrolidin-3-one
SMILESNc1cccc(N2CCC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-8-2-1-3-9(6-8)12-5-4-10(13)7-12/h1-3,6H,4-5,7,11H2
InChIKeyBWKYUBQWSBTRDC-UHFFFAOYSA-N
XLogP1.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenyl)pyrrolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)pyrrolidin-3-one?
The IUPAC name of 1-(3-aminophenyl)pyrrolidin-3-one (CID 115014711) is 1-(3-aminophenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3-aminophenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3-aminophenyl)pyrrolidin-3-one is Nc1cccc(N2CCC(=O)C2)c1.
What is the InChIKey of 1-(3-aminophenyl)pyrrolidin-3-one?
The InChIKey is BWKYUBQWSBTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-2-1-3-9(6-8)12-5-4-10(13)7-12/h1-3,6H,4-5,7,11H2.
What are the key properties of 1-(3-aminophenyl)pyrrolidin-3-one?
1-(3-aminophenyl)pyrrolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)pyrrolidin-3-one is sourced from PubChem (CID 115014711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).