3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile

C13H22N2O — CID 56790758

IUPAC3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile
SMILESN#CCCN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C13H22N2O/c14-7-4-8-15-10-12(16)9-13(15)11-5-2-1-3-6-11/h11-13,16H,1-6,8-10H2
InChIKeyFEOBXTZNJHPOSB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds3

About 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile

3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile (PubChem CID 56790758) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile
PubChem CID56790758
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile
SMILESN#CCCN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C13H22N2O/c14-7-4-8-15-10-12(16)9-13(15)11-5-2-1-3-6-11/h11-13,16H,1-6,8-10H2
InChIKeyFEOBXTZNJHPOSB-UHFFFAOYSA-N
XLogP1.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile?
The IUPAC name of 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile (CID 56790758) is 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile is N#CCCN1CC(O)CC1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile?
The InChIKey is FEOBXTZNJHPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-7-4-8-15-10-12(16)9-13(15)11-5-2-1-3-6-11/h11-13,16H,1-6,8-10H2.
What are the key properties of 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile?
3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile has a molecular weight of 222.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 56790758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).