(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one

C16H12N2O2 — CID 54581836

IUPAC(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\C(=O)c1cccnc1)C(=O)N2
InChIInChI=1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(20)18-14)8-15(19)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,20)/b13-8+
InChIKeyQQGMUASZKCJWCC-MDWZMJQESA-N
MW264.28 g/mol
LogP2.61
Rot. Bonds2

About (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one

(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (PubChem CID 54581836) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
PubChem CID54581836
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\C(=O)c1cccnc1)C(=O)N2
InChIInChI=1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(20)18-14)8-15(19)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,20)/b13-8+
InChIKeyQQGMUASZKCJWCC-MDWZMJQESA-N
XLogP2.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.61
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)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one (CID 54581836) is (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one is Cc1ccc2c(c1)/C(=C\C(=O)c1cccnc1)C(=O)N2.
What is the InChIKey of (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
The InChIKey is QQGMUASZKCJWCC-MDWZMJQESA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(20)18-14)8-15(19)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,20)/b13-8+.
What are the key properties of (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one?
(3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-(2-oxo-2-pyridin-3-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 54581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).