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

C17H18N2O — CID 107918690

IUPAC3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)CCC3CCCC3)c12
InChIInChI=1S/C17H18N2O/c18-10-13-6-3-7-15-17(13)14(11-19-15)16(20)9-8-12-4-1-2-5-12/h3,6-7,11-12,19H,1-2,4-5,8-9H2
InChIKeyNUDCNCWHQORQIB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds4

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

3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile (PubChem CID 107918690) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
PubChem CID107918690
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C(=O)CCC3CCCC3)c12
InChIInChI=1S/C17H18N2O/c18-10-13-6-3-7-15-17(13)14(11-19-15)16(20)9-8-12-4-1-2-5-12/h3,6-7,11-12,19H,1-2,4-5,8-9H2
InChIKeyNUDCNCWHQORQIB-UHFFFAOYSA-N
XLogP4.19
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyano-1H-indol-3-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 107918746
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
3-(oxane-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918641
3-[3-(2,2-difluoroethoxy)propanoyl]-1H-indole-4-carbonitrile
CID 107918644
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-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
3-(1-methylcyclopentanecarbonyl)-1H-indole-4-carbonitrile
CID 107918637
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
3-(2-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107918715
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile (CID 107918690) is 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(C(=O)CCC3CCCC3)c12.
What is the InChIKey of 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile?
The InChIKey is NUDCNCWHQORQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-10-13-6-3-7-15-17(13)14(11-19-15)16(20)9-8-12-4-1-2-5-12/h3,6-7,11-12,19H,1-2,4-5,8-9H2.
What are the key properties of 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile?
3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropanoyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 107918690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).