4-(2-methylindolizine-3-carbonyl)benzonitrile

C17H12N2O — CID 2358961

IUPAC4-(2-methylindolizine-3-carbonyl)benzonitrile
SMILESCc1cc2ccccn2c1C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O/c1-12-10-15-4-2-3-9-19(15)16(12)17(20)14-7-5-13(11-18)6-8-14/h2-10H,1H3
InChIKeyOFKAYRQVWXHVSH-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.35
Rot. Bonds2

About 4-(2-methylindolizine-3-carbonyl)benzonitrile

4-(2-methylindolizine-3-carbonyl)benzonitrile (PubChem CID 2358961) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(2-methylindolizine-3-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(2-methylindolizine-3-carbonyl)benzonitrile
PubChem CID2358961
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-(2-methylindolizine-3-carbonyl)benzonitrile
SMILESCc1cc2ccccn2c1C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O/c1-12-10-15-4-2-3-9-19(15)16(12)17(20)14-7-5-13(11-18)6-8-14/h2-10H,1H3
InChIKeyOFKAYRQVWXHVSH-UHFFFAOYSA-N
XLogP3.35
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylindolizine-3-carbonyl)benzonitrile?
The IUPAC name of 4-(2-methylindolizine-3-carbonyl)benzonitrile (CID 2358961) is 4-(2-methylindolizine-3-carbonyl)benzonitrile.
What is the SMILES notation for 4-(2-methylindolizine-3-carbonyl)benzonitrile?
The canonical SMILES for 4-(2-methylindolizine-3-carbonyl)benzonitrile is Cc1cc2ccccn2c1C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-methylindolizine-3-carbonyl)benzonitrile?
The InChIKey is OFKAYRQVWXHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-12-10-15-4-2-3-9-19(15)16(12)17(20)14-7-5-13(11-18)6-8-14/h2-10H,1H3.
What are the key properties of 4-(2-methylindolizine-3-carbonyl)benzonitrile?
4-(2-methylindolizine-3-carbonyl)benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylindolizine-3-carbonyl)benzonitrile is sourced from PubChem (CID 2358961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).