2-(1-hydroxycyclohexyl)butanenitrile

C10H17NO — CID 10012284

IUPAC2-(1-hydroxycyclohexyl)butanenitrile
SMILESCCC(C#N)C1(O)CCCCC1
InChIInChI=1S/C10H17NO/c1-2-9(8-11)10(12)6-4-3-5-7-10/h9,12H,2-7H2,1H3
InChIKeyQXTUQGDEKPIYBR-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds2

About 2-(1-hydroxycyclohexyl)butanenitrile

2-(1-hydroxycyclohexyl)butanenitrile (PubChem CID 10012284) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)butanenitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)butanenitrile
PubChem CID10012284
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(1-hydroxycyclohexyl)butanenitrile
SMILESCCC(C#N)C1(O)CCCCC1
InChIInChI=1S/C10H17NO/c1-2-9(8-11)10(12)6-4-3-5-7-10/h9,12H,2-7H2,1H3
InChIKeyQXTUQGDEKPIYBR-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)butanenitrile?
The IUPAC name of 2-(1-hydroxycyclohexyl)butanenitrile (CID 10012284) is 2-(1-hydroxycyclohexyl)butanenitrile.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)butanenitrile?
The canonical SMILES for 2-(1-hydroxycyclohexyl)butanenitrile is CCC(C#N)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)butanenitrile?
The InChIKey is QXTUQGDEKPIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-9(8-11)10(12)6-4-3-5-7-10/h9,12H,2-7H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)butanenitrile?
2-(1-hydroxycyclohexyl)butanenitrile has a molecular weight of 167.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)butanenitrile is sourced from PubChem (CID 10012284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).