2-(1-hydroxycyclohexyl)propanenitrile

C9H15NO — CID 10057717

IUPAC2-(1-hydroxycyclohexyl)propanenitrile
SMILESCC(C#N)C1(O)CCCCC1
InChIInChI=1S/C9H15NO/c1-8(7-10)9(11)5-3-2-4-6-9/h8,11H,2-6H2,1H3
InChIKeyDUODJECUNIYWQA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds1

About 2-(1-hydroxycyclohexyl)propanenitrile

2-(1-hydroxycyclohexyl)propanenitrile (PubChem CID 10057717) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)propanenitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)propanenitrile
PubChem CID10057717
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-hydroxycyclohexyl)propanenitrile
SMILESCC(C#N)C1(O)CCCCC1
InChIInChI=1S/C9H15NO/c1-8(7-10)9(11)5-3-2-4-6-9/h8,11H,2-6H2,1H3
InChIKeyDUODJECUNIYWQA-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-(1-hydroxycyclohexyl)propanenitrile?
The IUPAC name of 2-(1-hydroxycyclohexyl)propanenitrile (CID 10057717) is 2-(1-hydroxycyclohexyl)propanenitrile.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)propanenitrile?
The canonical SMILES for 2-(1-hydroxycyclohexyl)propanenitrile is CC(C#N)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)propanenitrile?
The InChIKey is DUODJECUNIYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(7-10)9(11)5-3-2-4-6-9/h8,11H,2-6H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)propanenitrile?
2-(1-hydroxycyclohexyl)propanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)propanenitrile is sourced from PubChem (CID 10057717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).