1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one

C15H12N2O — CID 964257

IUPAC1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
SMILESCN1C(=O)C(=Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H12N2O/c1-17-14-7-3-2-6-12(14)13(15(17)18)9-11-5-4-8-16-10-11/h2-10H,1H3
InChIKeyNOMFLOHGSFPOBN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.60
Rot. Bonds1

About 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one

1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one (PubChem CID 964257) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
PubChem CID964257
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
SMILESCN1C(=O)C(=Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H12N2O/c1-17-14-7-3-2-6-12(14)13(15(17)18)9-11-5-4-8-16-10-11/h2-10H,1H3
InChIKeyNOMFLOHGSFPOBN-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one?
The IUPAC name of 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one (CID 964257) is 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one.
What is the SMILES notation for 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one?
The canonical SMILES for 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one is CN1C(=O)C(=Cc2cccnc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one?
The InChIKey is NOMFLOHGSFPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-14-7-3-2-6-12(14)13(15(17)18)9-11-5-4-8-16-10-11/h2-10H,1H3.
What are the key properties of 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one?
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one is sourced from PubChem (CID 964257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).