4-cyclobutyl-2-hydroxy-3-methylbutanenitrile

C9H15NO — CID 58262765

IUPAC4-cyclobutyl-2-hydroxy-3-methylbutanenitrile
SMILESCC(CC1CCC1)C(O)C#N
InChIInChI=1S/C9H15NO/c1-7(9(11)6-10)5-8-3-2-4-8/h7-9,11H,2-5H2,1H3
InChIKeyWVKITRFNPRZGCQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.70
Rot. Bonds3

About 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile

4-cyclobutyl-2-hydroxy-3-methylbutanenitrile (PubChem CID 58262765) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile.

Molecular Properties

Compound Name4-cyclobutyl-2-hydroxy-3-methylbutanenitrile
PubChem CID58262765
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-cyclobutyl-2-hydroxy-3-methylbutanenitrile
SMILESCC(CC1CCC1)C(O)C#N
InChIInChI=1S/C9H15NO/c1-7(9(11)6-10)5-8-3-2-4-8/h7-9,11H,2-5H2,1H3
InChIKeyWVKITRFNPRZGCQ-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile?
The IUPAC name of 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile (CID 58262765) is 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile.
What is the SMILES notation for 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile?
The canonical SMILES for 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile is CC(CC1CCC1)C(O)C#N.
What is the InChIKey of 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile?
The InChIKey is WVKITRFNPRZGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(9(11)6-10)5-8-3-2-4-8/h7-9,11H,2-5H2,1H3.
What are the key properties of 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile?
4-cyclobutyl-2-hydroxy-3-methylbutanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-hydroxy-3-methylbutanenitrile is sourced from PubChem (CID 58262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).