4-cyclopentyl-2-methyl-3-oxobutanenitrile

C10H15NO — CID 60758153

IUPAC4-cyclopentyl-2-methyl-3-oxobutanenitrile
SMILESCC(C#N)C(=O)CC1CCCC1
InChIInChI=1S/C10H15NO/c1-8(7-11)10(12)6-9-4-2-3-5-9/h8-9H,2-6H2,1H3
InChIKeyQANZLHIWNPEZQI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.30
Rot. Bonds3

About 4-cyclopentyl-2-methyl-3-oxobutanenitrile

4-cyclopentyl-2-methyl-3-oxobutanenitrile (PubChem CID 60758153) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-3-oxobutanenitrile.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-3-oxobutanenitrile
PubChem CID60758153
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-cyclopentyl-2-methyl-3-oxobutanenitrile
SMILESCC(C#N)C(=O)CC1CCCC1
InChIInChI=1S/C10H15NO/c1-8(7-11)10(12)6-9-4-2-3-5-9/h8-9H,2-6H2,1H3
InChIKeyQANZLHIWNPEZQI-UHFFFAOYSA-N
XLogP2.30
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_keto_A(2)', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylacetyl)propanedinitrile
CID 112732082
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile
CID 61312594
1-cyclobutyl-3-methoxybutan-2-one
CID 79616644
4-cycloheptyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 114457994
4-cyclopentyl-2-(3-methylphenyl)-3-oxobutanenitrile
CID 55118080
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
1-cyclopentyl-3-methylbutan-2-one;thiophene
CID 174398739

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-3-oxobutanenitrile?
The IUPAC name of 4-cyclopentyl-2-methyl-3-oxobutanenitrile (CID 60758153) is 4-cyclopentyl-2-methyl-3-oxobutanenitrile.
What is the SMILES notation for 4-cyclopentyl-2-methyl-3-oxobutanenitrile?
The canonical SMILES for 4-cyclopentyl-2-methyl-3-oxobutanenitrile is CC(C#N)C(=O)CC1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-methyl-3-oxobutanenitrile?
The InChIKey is QANZLHIWNPEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(7-11)10(12)6-9-4-2-3-5-9/h8-9H,2-6H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-3-oxobutanenitrile?
4-cyclopentyl-2-methyl-3-oxobutanenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-3-oxobutanenitrile is sourced from PubChem (CID 60758153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).