3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile

C16H16N2O — CID 107918637

IUPAC3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile
SMILESCC1(C(=O)c2c[nH]c3cccc(C#N)c23)CCCC1
InChIInChI=1S/C16H16N2O/c1-16(7-2-3-8-16)15(19)12-10-18-13-6-4-5-11(9-17)14(12)13/h4-6,10,18H,2-3,7-8H2,1H3
InChIKeyFULCXBQKDAGRSZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.80
Rot. Bonds2

About 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile

3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile (PubChem CID 107918637) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile
PubChem CID107918637
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile
SMILESCC1(C(=O)c2c[nH]c3cccc(C#N)c23)CCCC1
InChIInChI=1S/C16H16N2O/c1-16(7-2-3-8-16)15(19)12-10-18-13-6-4-5-11(9-17)14(12)13/h4-6,10,18H,2-3,7-8H2,1H3
InChIKeyFULCXBQKDAGRSZ-UHFFFAOYSA-N
XLogP3.80
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
3-(2-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107918715
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
4-(4-cyano-1H-indol-3-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 107918746
3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
CID 107918690
3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile
CID 162401924
3-(oxane-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918641
3-(2,5-dimethylfuran-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918683
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
2-[2-(4-cyano-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 107918751
3-[2-(4-bromophenyl)acetyl]-1H-indole-4-carbonitrile
CID 107918738
3-(2-bromo-3-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918646

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile (CID 107918637) is 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile is CC1(C(=O)c2c[nH]c3cccc(C#N)c23)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile?
The InChIKey is FULCXBQKDAGRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(7-2-3-8-16)15(19)12-10-18-13-6-4-5-11(9-17)14(12)13/h4-6,10,18H,2-3,7-8H2,1H3.
What are the key properties of 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile?
3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 107918637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).