2-(2-hydroxycyclopentyl)acetonitrile

C7H11NO — CID 14271260

IUPAC2-(2-hydroxycyclopentyl)acetonitrile
SMILESN#CCC1CCCC1O
InChIInChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h6-7,9H,1-4H2
InChIKeyBSOGSYDXTVYPBR-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds1

About 2-(2-hydroxycyclopentyl)acetonitrile

2-(2-hydroxycyclopentyl)acetonitrile (PubChem CID 14271260) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)acetonitrile
PubChem CID14271260
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-hydroxycyclopentyl)acetonitrile
SMILESN#CCC1CCCC1O
InChIInChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h6-7,9H,1-4H2
InChIKeyBSOGSYDXTVYPBR-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)acetonitrile?
The IUPAC name of 2-(2-hydroxycyclopentyl)acetonitrile (CID 14271260) is 2-(2-hydroxycyclopentyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxycyclopentyl)acetonitrile is N#CCC1CCCC1O.
What is the InChIKey of 2-(2-hydroxycyclopentyl)acetonitrile?
The InChIKey is BSOGSYDXTVYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h6-7,9H,1-4H2.
What are the key properties of 2-(2-hydroxycyclopentyl)acetonitrile?
2-(2-hydroxycyclopentyl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)acetonitrile is sourced from PubChem (CID 14271260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).