3-(oxiran-2-yl)-1H-quinolin-2-one

C11H9NO2 — CID 87791873

IUPAC3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CO1
InChIInChI=1S/C11H9NO2/c13-11-8(10-6-14-10)5-7-3-1-2-4-9(7)12-11/h1-5,10H,6H2,(H,12,13)
InChIKeyDNVWADVBGFNHDQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.60
Rot. Bonds1

About 3-(oxiran-2-yl)-1H-quinolin-2-one

3-(oxiran-2-yl)-1H-quinolin-2-one (PubChem CID 87791873) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(oxiran-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(oxiran-2-yl)-1H-quinolin-2-one
PubChem CID87791873
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CO1
InChIInChI=1S/C11H9NO2/c13-11-8(10-6-14-10)5-7-3-1-2-4-9(7)12-11/h1-5,10H,6H2,(H,12,13)
InChIKeyDNVWADVBGFNHDQ-UHFFFAOYSA-N
XLogP1.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(oxiran-2-yl)-1H-quinolin-2-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 3-(oxiran-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(oxiran-2-yl)-1H-quinolin-2-one (CID 87791873) is 3-(oxiran-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(oxiran-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(oxiran-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1CO1.
What is the InChIKey of 3-(oxiran-2-yl)-1H-quinolin-2-one?
The InChIKey is DNVWADVBGFNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-8(10-6-14-10)5-7-3-1-2-4-9(7)12-11/h1-5,10H,6H2,(H,12,13).
What are the key properties of 3-(oxiran-2-yl)-1H-quinolin-2-one?
3-(oxiran-2-yl)-1H-quinolin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 87791873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).