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

C15H9ClN2O2 — CID 54585611

IUPAC(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+
InChIKeyPSPJWKKTYQVHMA-JXMROGBWSA-N
MW284.70 g/mol
LogP2.95
Rot. Bonds2

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

(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (PubChem CID 54585611) 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-3-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
PubChem CID54585611
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccnc1
InChIInChI=1S/C15H9ClN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+
InChIKeyPSPJWKKTYQVHMA-JXMROGBWSA-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-3-ylethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (CID 54585611) is (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one is O=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccnc1.
What is the InChIKey of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The InChIKey is PSPJWKKTYQVHMA-JXMROGBWSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-11-4-1-5-12-14(11)10(15(20)18-12)7-13(19)9-3-2-6-17-8-9/h1-8H,(H,18,20)/b10-7+.
What are the key properties of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
(3E)-4-chloro-3-(2-oxo-2-pyridin-3-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-3-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 54585611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).