5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile

C13H21NO — CID 61312594

IUPAC5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile
SMILESCC(C)C(C#N)C(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-10(2)12(9-14)13(15)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3
InChIKeyGIABKBOMKZBDTK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.32
Rot. Bonds5

About 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile

5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile (PubChem CID 61312594) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile
PubChem CID61312594
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile
SMILESCC(C)C(C#N)C(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-10(2)12(9-14)13(15)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3
InChIKeyGIABKBOMKZBDTK-UHFFFAOYSA-N
XLogP3.32
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
1-cyclohexyl-4-methylhexan-3-one
CID 115787943
4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propanenitrile
CID 63337503
2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
CID 43156875
5-cyclopentyl-2-(3-methylphenyl)-3-oxopentanenitrile
CID 62828902
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
2-(2-cyclopentylacetyl)propanedinitrile
CID 112732082
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115188639

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile?
The IUPAC name of 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile (CID 61312594) is 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile?
The canonical SMILES for 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile is CC(C)C(C#N)C(=O)CCC1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile?
The InChIKey is GIABKBOMKZBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)12(9-14)13(15)8-7-11-5-3-4-6-11/h10-12H,3-8H2,1-2H3.
What are the key properties of 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile?
5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile has a molecular weight of 207.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-oxo-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 61312594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).