1-(3-aminophenyl)pyrrolidin-2-one

C10H12N2O — CID 683956

IUPAC1-(3-aminophenyl)pyrrolidin-2-one
SMILESNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2
InChIKeyZQGGRBIDRBYUJS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.40
Rot. Bonds1

About 1-(3-aminophenyl)pyrrolidin-2-one

1-(3-aminophenyl)pyrrolidin-2-one (PubChem CID 683956) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)pyrrolidin-2-one
PubChem CID683956
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(3-aminophenyl)pyrrolidin-2-one
SMILESNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2
InChIKeyZQGGRBIDRBYUJS-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)pyrrolidin-2-one (CID 683956) is 1-(3-aminophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)pyrrolidin-2-one is Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)pyrrolidin-2-one?
The InChIKey is ZQGGRBIDRBYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2.
What are the key properties of 1-(3-aminophenyl)pyrrolidin-2-one?
1-(3-aminophenyl)pyrrolidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)pyrrolidin-2-one is sourced from PubChem (CID 683956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).