2-cyclopentyl-2-hydroxypropanenitrile

C8H13NO — CID 62633021

IUPAC2-cyclopentyl-2-hydroxypropanenitrile
SMILESCC(O)(C#N)C1CCCC1
InChIInChI=1S/C8H13NO/c1-8(10,6-9)7-4-2-3-5-7/h7,10H,2-5H2,1H3
InChIKeyJLAIMJOAMCFYQC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 2-cyclopentyl-2-hydroxypropanenitrile

2-cyclopentyl-2-hydroxypropanenitrile (PubChem CID 62633021) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxypropanenitrile
PubChem CID62633021
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-cyclopentyl-2-hydroxypropanenitrile
SMILESCC(O)(C#N)C1CCCC1
InChIInChI=1S/C8H13NO/c1-8(10,6-9)7-4-2-3-5-7/h7,10H,2-5H2,1H3
InChIKeyJLAIMJOAMCFYQC-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxypropanenitrile?
The IUPAC name of 2-cyclopentyl-2-hydroxypropanenitrile (CID 62633021) is 2-cyclopentyl-2-hydroxypropanenitrile.
What is the SMILES notation for 2-cyclopentyl-2-hydroxypropanenitrile?
The canonical SMILES for 2-cyclopentyl-2-hydroxypropanenitrile is CC(O)(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxypropanenitrile?
The InChIKey is JLAIMJOAMCFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(10,6-9)7-4-2-3-5-7/h7,10H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-2-hydroxypropanenitrile?
2-cyclopentyl-2-hydroxypropanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxypropanenitrile is sourced from PubChem (CID 62633021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).