2-(1-hydroxycyclopentyl)butanenitrile

C9H15NO — CID 79130006

IUPAC2-(1-hydroxycyclopentyl)butanenitrile
SMILESCCC(C#N)C1(O)CCCC1
InChIInChI=1S/C9H15NO/c1-2-8(7-10)9(11)5-3-4-6-9/h8,11H,2-6H2,1H3
InChIKeyOQULKVHSXROQTI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds2

About 2-(1-hydroxycyclopentyl)butanenitrile

2-(1-hydroxycyclopentyl)butanenitrile (PubChem CID 79130006) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)butanenitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)butanenitrile
PubChem CID79130006
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-hydroxycyclopentyl)butanenitrile
SMILESCCC(C#N)C1(O)CCCC1
InChIInChI=1S/C9H15NO/c1-2-8(7-10)9(11)5-3-4-6-9/h8,11H,2-6H2,1H3
InChIKeyOQULKVHSXROQTI-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Hydroxycyclopentyl)acetonitrile
CID 23468082
3-Hydroxy-3-methylheptanenitrile
CID 15156106
2-(1-Hydroxycyclohexyl)propanenitrile
CID 10057717
2-Butyl-2-hydroxyhexanenitrile
CID 12452018
Heptanenitrile, 3-hydroxy-2,3-dimethyl-
CID 11435066
2-(2-Hydroxypropan-2-yl)-4-methylpentanenitrile
CID 24972337
2-Ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
2-(1-Hydroxycyclohexyl)butanenitrile
CID 10012284
1-Hydroxy-2-methylcyclopentane-1-carbonitrile
CID 12743655
4-Butyl-4-hydroxyoctanenitrile
CID 14900501
5-Cyclopentyl-5-hydroxyhexanenitrile
CID 18433865
2-Cyclohexyl-2-hydroxypropanenitrile
CID 20294935

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)butanenitrile?
The IUPAC name of 2-(1-hydroxycyclopentyl)butanenitrile (CID 79130006) is 2-(1-hydroxycyclopentyl)butanenitrile.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)butanenitrile?
The canonical SMILES for 2-(1-hydroxycyclopentyl)butanenitrile is CCC(C#N)C1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)butanenitrile?
The InChIKey is OQULKVHSXROQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8(7-10)9(11)5-3-4-6-9/h8,11H,2-6H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)butanenitrile?
2-(1-hydroxycyclopentyl)butanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)butanenitrile is sourced from PubChem (CID 79130006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).