(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one

C15H9ClN2O2 — CID 54582754

IUPAC(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1ccccn1
InChIInChI=1S/C15H9ClN2O2/c16-10-4-3-6-12-14(10)9(15(20)18-12)8-13(19)11-5-1-2-7-17-11/h1-8H,(H,18,20)/b9-8+
InChIKeyNQDZTCIGZPMSPC-CMDGGOBGSA-N
MW284.70 g/mol
LogP2.95
Rot. Bonds2

About (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one

(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one (PubChem CID 54582754) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one
PubChem CID54582754
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1ccccn1
InChIInChI=1S/C15H9ClN2O2/c16-10-4-3-6-12-14(10)9(15(20)18-12)8-13(19)11-5-1-2-7-17-11/h1-8H,(H,18,20)/b9-8+
InChIKeyNQDZTCIGZPMSPC-CMDGGOBGSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one (CID 54582754) is (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one is O=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1ccccn1.
What is the InChIKey of (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one?
The InChIKey is NQDZTCIGZPMSPC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-10-4-3-6-12-14(10)9(15(20)18-12)8-13(19)11-5-1-2-7-17-11/h1-8H,(H,18,20)/b9-8+.
What are the key properties of (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one?
(3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one has a molecular weight of 284.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-3-(2-oxo-2-pyridin-2-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 54582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).