3-(4-hydroxycyclohexyl)propanenitrile

C9H15NO — CID 14022803

IUPAC3-(4-hydroxycyclohexyl)propanenitrile
SMILESN#CCCC1CCC(O)CC1
InChIInChI=1S/C9H15NO/c10-7-1-2-8-3-5-9(11)6-4-8/h8-9,11H,1-6H2
InChIKeyOYPWAAUYPWDXPW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds2

About 3-(4-hydroxycyclohexyl)propanenitrile

3-(4-hydroxycyclohexyl)propanenitrile (PubChem CID 14022803) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)propanenitrile.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)propanenitrile
PubChem CID14022803
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(4-hydroxycyclohexyl)propanenitrile
SMILESN#CCCC1CCC(O)CC1
InChIInChI=1S/C9H15NO/c10-7-1-2-8-3-5-9(11)6-4-8/h8-9,11H,1-6H2
InChIKeyOYPWAAUYPWDXPW-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)propanenitrile?
The IUPAC name of 3-(4-hydroxycyclohexyl)propanenitrile (CID 14022803) is 3-(4-hydroxycyclohexyl)propanenitrile.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)propanenitrile?
The canonical SMILES for 3-(4-hydroxycyclohexyl)propanenitrile is N#CCCC1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)propanenitrile?
The InChIKey is OYPWAAUYPWDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-1-2-8-3-5-9(11)6-4-8/h8-9,11H,1-6H2.
What are the key properties of 3-(4-hydroxycyclohexyl)propanenitrile?
3-(4-hydroxycyclohexyl)propanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)propanenitrile is sourced from PubChem (CID 14022803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).