1-(4-methylbenzoyl)indole-3-carbonitrile

C17H12N2O — CID 14978069

IUPAC1-(4-methylbenzoyl)indole-3-carbonitrile
SMILESCc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C17H12N2O/c1-12-6-8-13(9-7-12)17(20)19-11-14(10-18)15-4-2-3-5-16(15)19/h2-9,11H,1H3
InChIKeyJGEOJBSTMXJIIF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.51
Rot. Bonds1

About 1-(4-methylbenzoyl)indole-3-carbonitrile

1-(4-methylbenzoyl)indole-3-carbonitrile (PubChem CID 14978069) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methylbenzoyl)indole-3-carbonitrile
PubChem CID14978069
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-(4-methylbenzoyl)indole-3-carbonitrile
SMILESCc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C17H12N2O/c1-12-6-8-13(9-7-12)17(20)19-11-14(10-18)15-4-2-3-5-16(15)19/h2-9,11H,1H3
InChIKeyJGEOJBSTMXJIIF-UHFFFAOYSA-N
XLogP3.51
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)indole-3-carbonitrile?
The IUPAC name of 1-(4-methylbenzoyl)indole-3-carbonitrile (CID 14978069) is 1-(4-methylbenzoyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(4-methylbenzoyl)indole-3-carbonitrile?
The canonical SMILES for 1-(4-methylbenzoyl)indole-3-carbonitrile is Cc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)indole-3-carbonitrile?
The InChIKey is JGEOJBSTMXJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-12-6-8-13(9-7-12)17(20)19-11-14(10-18)15-4-2-3-5-16(15)19/h2-9,11H,1H3.
What are the key properties of 1-(4-methylbenzoyl)indole-3-carbonitrile?
1-(4-methylbenzoyl)indole-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)indole-3-carbonitrile is sourced from PubChem (CID 14978069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).