2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

C15H10N2O — CID 902287

IUPAC2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C15H10N2O/c1-8-12(7-16)9(2)17-14-10-5-3-4-6-11(10)15(18)13(8)14/h3-6H,1-2H3
InChIKeyYKAYIAYWNLXUOW-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.78
Rot. Bonds

About 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 902287) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID902287
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C15H10N2O/c1-8-12(7-16)9(2)17-14-10-5-3-4-6-11(10)15(18)13(8)14/h3-6H,1-2H3
InChIKeyYKAYIAYWNLXUOW-UHFFFAOYSA-N
XLogP2.78
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (CID 902287) is 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is Cc1nc2c(c(C)c1C#N)C(=O)c1ccccc1-2.
What is the InChIKey of 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is YKAYIAYWNLXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-8-12(7-16)9(2)17-14-10-5-3-4-6-11(10)15(18)13(8)14/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 902287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).