5-hydroxy-2-methylpentanenitrile

C6H11NO — CID 22266611

IUPAC5-hydroxy-2-methylpentanenitrile
SMILESCC(C#N)CCCO
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8/h6,8H,2-4H2,1H3
InChIKeyBJJVDFADUDDTQK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.92
Rot. Bonds3

About 5-hydroxy-2-methylpentanenitrile

5-hydroxy-2-methylpentanenitrile (PubChem CID 22266611) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name5-hydroxy-2-methylpentanenitrile
PubChem CID22266611
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-hydroxy-2-methylpentanenitrile
SMILESCC(C#N)CCCO
InChIInChI=1S/C6H11NO/c1-6(5-7)3-2-4-8/h6,8H,2-4H2,1H3
InChIKeyBJJVDFADUDDTQK-UHFFFAOYSA-N
XLogP0.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpentanenitrile?
The IUPAC name of 5-hydroxy-2-methylpentanenitrile (CID 22266611) is 5-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for 5-hydroxy-2-methylpentanenitrile?
The canonical SMILES for 5-hydroxy-2-methylpentanenitrile is CC(C#N)CCCO.
What is the InChIKey of 5-hydroxy-2-methylpentanenitrile?
The InChIKey is BJJVDFADUDDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(5-7)3-2-4-8/h6,8H,2-4H2,1H3.
What are the key properties of 5-hydroxy-2-methylpentanenitrile?
5-hydroxy-2-methylpentanenitrile has a molecular weight of 113.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 22266611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).