1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile

C19H16N2O — CID 91689416

IUPAC1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
SMILESCC(C)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-12-16(11-20)17-5-3-4-6-18(17)21/h3-10,12-13H,1-2H3
InChIKeyZWEGHKKRXJHGLX-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.32
Rot. Bonds2

About 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile

1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile (PubChem CID 91689416) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
PubChem CID91689416
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
SMILESCC(C)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-12-16(11-20)17-5-3-4-6-18(17)21/h3-10,12-13H,1-2H3
InChIKeyZWEGHKKRXJHGLX-UHFFFAOYSA-N
XLogP4.32
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile?
The IUPAC name of 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile (CID 91689416) is 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile?
The canonical SMILES for 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile is CC(C)c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1.
What is the InChIKey of 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile?
The InChIKey is ZWEGHKKRXJHGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-12-16(11-20)17-5-3-4-6-18(17)21/h3-10,12-13H,1-2H3.
What are the key properties of 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile?
1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile is sourced from PubChem (CID 91689416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).