3-(6-oxocyclohexene-1-carbonyl)indol-2-one

C15H11NO3 — CID 142146820

IUPAC3-(6-oxocyclohexene-1-carbonyl)indol-2-one
SMILESO=C1CCCC=C1C(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C15H11NO3/c17-12-8-4-2-6-10(12)14(18)13-9-5-1-3-7-11(9)16-15(13)19/h1,3,5-7H,2,4,8H2
InChIKeyKAVHDKWTNMDKHI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.25
Rot. Bonds2

About 3-(6-oxocyclohexene-1-carbonyl)indol-2-one

3-(6-oxocyclohexene-1-carbonyl)indol-2-one (PubChem CID 142146820) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(6-oxocyclohexene-1-carbonyl)indol-2-one.

Molecular Properties

Compound Name3-(6-oxocyclohexene-1-carbonyl)indol-2-one
PubChem CID142146820
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-(6-oxocyclohexene-1-carbonyl)indol-2-one
SMILESO=C1CCCC=C1C(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C15H11NO3/c17-12-8-4-2-6-10(12)14(18)13-9-5-1-3-7-11(9)16-15(13)19/h1,3,5-7H,2,4,8H2
InChIKeyKAVHDKWTNMDKHI-UHFFFAOYSA-N
XLogP0.25
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-(6-oxocyclohexene-1-carbonyl)indol-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-(6-oxocyclohexene-1-carbonyl)indol-2-one?
The IUPAC name of 3-(6-oxocyclohexene-1-carbonyl)indol-2-one (CID 142146820) is 3-(6-oxocyclohexene-1-carbonyl)indol-2-one.
What is the SMILES notation for 3-(6-oxocyclohexene-1-carbonyl)indol-2-one?
The canonical SMILES for 3-(6-oxocyclohexene-1-carbonyl)indol-2-one is O=C1CCCC=C1C(=O)C1=c2ccccc2=NC1=O.
What is the InChIKey of 3-(6-oxocyclohexene-1-carbonyl)indol-2-one?
The InChIKey is KAVHDKWTNMDKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-8-4-2-6-10(12)14(18)13-9-5-1-3-7-11(9)16-15(13)19/h1,3,5-7H,2,4,8H2.
What are the key properties of 3-(6-oxocyclohexene-1-carbonyl)indol-2-one?
3-(6-oxocyclohexene-1-carbonyl)indol-2-one has a molecular weight of 253.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxocyclohexene-1-carbonyl)indol-2-one is sourced from PubChem (CID 142146820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).