2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile

C9H15NO — CID 10582971

IUPAC2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile
SMILESC=CC(C#N)C(O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,7-8,11H,1H2,2-4H3
InChIKeyLDGCYKPBPHIMPP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.72
Rot. Bonds2

About 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile

2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile (PubChem CID 10582971) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile
PubChem CID10582971
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile
SMILESC=CC(C#N)C(O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,7-8,11H,1H2,2-4H3
InChIKeyLDGCYKPBPHIMPP-UHFFFAOYSA-N
XLogP1.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile?
The IUPAC name of 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile (CID 10582971) is 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile.
What is the SMILES notation for 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile?
The canonical SMILES for 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile is C=CC(C#N)C(O)C(C)(C)C.
What is the InChIKey of 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile?
The InChIKey is LDGCYKPBPHIMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,7-8,11H,1H2,2-4H3.
What are the key properties of 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile?
2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hydroxy-4,4-dimethylpentanenitrile is sourced from PubChem (CID 10582971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).