2-(1-hydroxycyclopentyl)acetonitrile

C7H11NO — CID 23468082

IUPAC2-(1-hydroxycyclopentyl)acetonitrile
SMILESN#CCC1(O)CCCC1
InChIInChI=1S/C7H11NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-5H2
InChIKeyLGZCCERSJXVXMD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds1

About 2-(1-hydroxycyclopentyl)acetonitrile

2-(1-hydroxycyclopentyl)acetonitrile (PubChem CID 23468082) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)acetonitrile
PubChem CID23468082
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1-hydroxycyclopentyl)acetonitrile
SMILESN#CCC1(O)CCCC1
InChIInChI=1S/C7H11NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-5H2
InChIKeyLGZCCERSJXVXMD-UHFFFAOYSA-N
XLogP1.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)acetonitrile?
The IUPAC name of 2-(1-hydroxycyclopentyl)acetonitrile (CID 23468082) is 2-(1-hydroxycyclopentyl)acetonitrile.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)acetonitrile?
The canonical SMILES for 2-(1-hydroxycyclopentyl)acetonitrile is N#CCC1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)acetonitrile?
The InChIKey is LGZCCERSJXVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-5H2.
What are the key properties of 2-(1-hydroxycyclopentyl)acetonitrile?
2-(1-hydroxycyclopentyl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)acetonitrile is sourced from PubChem (CID 23468082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).