2-hydroxy-2,3-dimethylpentanenitrile

C7H13NO — CID 60915973

IUPAC2-hydroxy-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(O)C#N
InChIInChI=1S/C7H13NO/c1-4-6(2)7(3,9)5-8/h6,9H,4H2,1-3H3
InChIKeyJNGSVWLDGMEMDD-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.31
Rot. Bonds2

About 2-hydroxy-2,3-dimethylpentanenitrile

2-hydroxy-2,3-dimethylpentanenitrile (PubChem CID 60915973) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-hydroxy-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-hydroxy-2,3-dimethylpentanenitrile
PubChem CID60915973
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-hydroxy-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(O)C#N
InChIInChI=1S/C7H13NO/c1-4-6(2)7(3,9)5-8/h6,9H,4H2,1-3H3
InChIKeyJNGSVWLDGMEMDD-UHFFFAOYSA-N
XLogP1.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.31
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 2-hydroxy-2,3-dimethylpentanenitrile?
The IUPAC name of 2-hydroxy-2,3-dimethylpentanenitrile (CID 60915973) is 2-hydroxy-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-hydroxy-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-hydroxy-2,3-dimethylpentanenitrile is CCC(C)C(C)(O)C#N.
What is the InChIKey of 2-hydroxy-2,3-dimethylpentanenitrile?
The InChIKey is JNGSVWLDGMEMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(2)7(3,9)5-8/h6,9H,4H2,1-3H3.
What are the key properties of 2-hydroxy-2,3-dimethylpentanenitrile?
2-hydroxy-2,3-dimethylpentanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dimethylpentanenitrile is sourced from PubChem (CID 60915973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).