1-(3-methyl-2-oxopentyl)indole-4-carbonitrile

C15H16N2O — CID 107918780

IUPAC1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
SMILESCCC(C)C(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C15H16N2O/c1-3-11(2)15(18)10-17-8-7-13-12(9-16)5-4-6-14(13)17/h4-8,11H,3,10H2,1-2H3
InChIKeyRPTSVGWGWAJWIH-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile

1-(3-methyl-2-oxopentyl)indole-4-carbonitrile (PubChem CID 107918780) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
PubChem CID107918780
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
SMILESCCC(C)C(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C15H16N2O/c1-3-11(2)15(18)10-17-8-7-13-12(9-16)5-4-6-14(13)17/h4-8,11H,3,10H2,1-2H3
InChIKeyRPTSVGWGWAJWIH-UHFFFAOYSA-N
XLogP3.13
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
1-(2-methylbutyl)indole-4-carbonitrile
CID 107919093
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]indole-4-carbonitrile
CID 107918805
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
CID 107918801
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
1-but-2-ynylindole-4-carbonitrile
CID 107919088
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile?
The IUPAC name of 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile (CID 107918780) is 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile?
The canonical SMILES for 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile is CCC(C)C(=O)Cn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile?
The InChIKey is RPTSVGWGWAJWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-11(2)15(18)10-17-8-7-13-12(9-16)5-4-6-14(13)17/h4-8,11H,3,10H2,1-2H3.
What are the key properties of 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile?
1-(3-methyl-2-oxopentyl)indole-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxopentyl)indole-4-carbonitrile is sourced from PubChem (CID 107918780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).