1-(4-oxopentyl)indole-5-carbonitrile

C14H14N2O — CID 107919956

IUPAC1-(4-oxopentyl)indole-5-carbonitrile
SMILESCC(=O)CCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H14N2O/c1-11(17)3-2-7-16-8-6-13-9-12(10-15)4-5-14(13)16/h4-6,8-9H,2-3,7H2,1H3
InChIKeyNIYZBRKTCIYRGT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-oxopentyl)indole-5-carbonitrile

1-(4-oxopentyl)indole-5-carbonitrile (PubChem CID 107919956) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-oxopentyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-oxopentyl)indole-5-carbonitrile
PubChem CID107919956
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(4-oxopentyl)indole-5-carbonitrile
SMILESCC(=O)CCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H14N2O/c1-11(17)3-2-7-16-8-6-13-9-12(10-15)4-5-14(13)16/h4-6,8-9H,2-3,7H2,1H3
InChIKeyNIYZBRKTCIYRGT-UHFFFAOYSA-N
XLogP2.88
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopentyl)indole-5-carbonitrile?
The IUPAC name of 1-(4-oxopentyl)indole-5-carbonitrile (CID 107919956) is 1-(4-oxopentyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(4-oxopentyl)indole-5-carbonitrile?
The canonical SMILES for 1-(4-oxopentyl)indole-5-carbonitrile is CC(=O)CCCn1ccc2cc(C#N)ccc21.
What is the InChIKey of 1-(4-oxopentyl)indole-5-carbonitrile?
The InChIKey is NIYZBRKTCIYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(17)3-2-7-16-8-6-13-9-12(10-15)4-5-14(13)16/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 1-(4-oxopentyl)indole-5-carbonitrile?
1-(4-oxopentyl)indole-5-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopentyl)indole-5-carbonitrile is sourced from PubChem (CID 107919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).