2-(2-cyclopentylacetyl)propanedinitrile

C10H12N2O — CID 112732082

IUPAC2-(2-cyclopentylacetyl)propanedinitrile
SMILESN#CC(C#N)C(=O)CC1CCCC1
InChIInChI=1S/C10H12N2O/c11-6-9(7-12)10(13)5-8-3-1-2-4-8/h8-9H,1-5H2
InChIKeyJIWQXFSTGWCWLL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.80
Rot. Bonds3

About 2-(2-cyclopentylacetyl)propanedinitrile

2-(2-cyclopentylacetyl)propanedinitrile (PubChem CID 112732082) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-cyclopentylacetyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-cyclopentylacetyl)propanedinitrile
PubChem CID112732082
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2-cyclopentylacetyl)propanedinitrile
SMILESN#CC(C#N)C(=O)CC1CCCC1
InChIInChI=1S/C10H12N2O/c11-6-9(7-12)10(13)5-8-3-1-2-4-8/h8-9H,1-5H2
InChIKeyJIWQXFSTGWCWLL-UHFFFAOYSA-N
XLogP1.80
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]propanedinitrile
CID 112732099
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
CID 116709029
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
4-cycloheptyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 114457994
4-cyclopentyl-2-(3-methylphenyl)-3-oxobutanenitrile
CID 55118080
4-cyclobutyl-2-(2,6-dichlorophenyl)-3-oxobutanenitrile
CID 103163872
(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile
CID 96565445
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylacetyl)propanedinitrile?
The IUPAC name of 2-(2-cyclopentylacetyl)propanedinitrile (CID 112732082) is 2-(2-cyclopentylacetyl)propanedinitrile.
What is the SMILES notation for 2-(2-cyclopentylacetyl)propanedinitrile?
The canonical SMILES for 2-(2-cyclopentylacetyl)propanedinitrile is N#CC(C#N)C(=O)CC1CCCC1.
What is the InChIKey of 2-(2-cyclopentylacetyl)propanedinitrile?
The InChIKey is JIWQXFSTGWCWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-9(7-12)10(13)5-8-3-1-2-4-8/h8-9H,1-5H2.
What are the key properties of 2-(2-cyclopentylacetyl)propanedinitrile?
2-(2-cyclopentylacetyl)propanedinitrile has a molecular weight of 176.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylacetyl)propanedinitrile is sourced from PubChem (CID 112732082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).