3-cyclopentyl-3-hydroxypropanenitrile

C8H13NO — CID 70370525

IUPAC3-cyclopentyl-3-hydroxypropanenitrile
SMILESN#CCC(O)C1CCCC1
InChIInChI=1S/C8H13NO/c9-6-5-8(10)7-3-1-2-4-7/h7-8,10H,1-5H2
InChIKeyRNCFMUGYSVLAHZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds2

About 3-cyclopentyl-3-hydroxypropanenitrile

3-cyclopentyl-3-hydroxypropanenitrile (PubChem CID 70370525) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-cyclopentyl-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-hydroxypropanenitrile
PubChem CID70370525
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-cyclopentyl-3-hydroxypropanenitrile
SMILESN#CCC(O)C1CCCC1
InChIInChI=1S/C8H13NO/c9-6-5-8(10)7-3-1-2-4-7/h7-8,10H,1-5H2
InChIKeyRNCFMUGYSVLAHZ-UHFFFAOYSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-hydroxypropanenitrile?
The IUPAC name of 3-cyclopentyl-3-hydroxypropanenitrile (CID 70370525) is 3-cyclopentyl-3-hydroxypropanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-hydroxypropanenitrile?
The canonical SMILES for 3-cyclopentyl-3-hydroxypropanenitrile is N#CCC(O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-hydroxypropanenitrile?
The InChIKey is RNCFMUGYSVLAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-5-8(10)7-3-1-2-4-7/h7-8,10H,1-5H2.
What are the key properties of 3-cyclopentyl-3-hydroxypropanenitrile?
3-cyclopentyl-3-hydroxypropanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-hydroxypropanenitrile is sourced from PubChem (CID 70370525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).