(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one

C11H8ClNO2 — CID 54582753

IUPAC(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one
SMILESCC(=O)/C=C1/C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C11H8ClNO2/c1-6(14)5-7-10-8(12)3-2-4-9(10)13-11(7)15/h2-5H,1H3,(H,13,15)/b7-5+
InChIKeyGMPLJVLJHVOIEU-FNORWQNLSA-N
MW221.64 g/mol
LogP2.26
Rot. Bonds1

About (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one

(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one (PubChem CID 54582753) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one
PubChem CID54582753
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one
SMILESCC(=O)/C=C1/C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C11H8ClNO2/c1-6(14)5-7-10-8(12)3-2-4-9(10)13-11(7)15/h2-5H,1H3,(H,13,15)/b7-5+
InChIKeyGMPLJVLJHVOIEU-FNORWQNLSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-4-chloro-3-(2-oxopropylidene)-1H-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 (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one?
The IUPAC name of (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one (CID 54582753) is (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one is CC(=O)/C=C1/C(=O)Nc2cccc(Cl)c21.
What is the InChIKey of (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one?
The InChIKey is GMPLJVLJHVOIEU-FNORWQNLSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-6(14)5-7-10-8(12)3-2-4-9(10)13-11(7)15/h2-5H,1H3,(H,13,15)/b7-5+.
What are the key properties of (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one?
(3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one has a molecular weight of 221.64 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-3-(2-oxopropylidene)-1H-indol-2-one is sourced from PubChem (CID 54582753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).