3-hydroxy-2,2-dimethylpent-4-enenitrile

C7H11NO — CID 21014899

IUPAC3-hydroxy-2,2-dimethylpent-4-enenitrile
SMILESC=CC(O)C(C)(C)C#N
InChIInChI=1S/C7H11NO/c1-4-6(9)7(2,3)5-8/h4,6,9H,1H2,2-3H3
InChIKeyNVHIMDDGDACOAG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.08
Rot. Bonds2

About 3-hydroxy-2,2-dimethylpent-4-enenitrile

3-hydroxy-2,2-dimethylpent-4-enenitrile (PubChem CID 21014899) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylpent-4-enenitrile.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylpent-4-enenitrile
PubChem CID21014899
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-hydroxy-2,2-dimethylpent-4-enenitrile
SMILESC=CC(O)C(C)(C)C#N
InChIInChI=1S/C7H11NO/c1-4-6(9)7(2,3)5-8/h4,6,9H,1H2,2-3H3
InChIKeyNVHIMDDGDACOAG-UHFFFAOYSA-N
XLogP1.08
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-4-pentenenitrile
CID 91586
Crambene
CID 10654175
3-Hydroxypent-4-ene nitrile
CID 54179979
(E)-3-hydroxy-2,2-dimethylhex-4-enenitrile
CID 15070279
3-Hydroxy-2,2,4-trimethylpent-4-enenitrile
CID 54361824
3-Hydroxy-4,4-dimethyl-2-methylidenepentanenitrile
CID 57708279
3-Hydroxy-2,2-dimethylhex-4-enenitrile
CID 72744312
6-Hydroxy-3,3-dimethyloct-7-en-4-ynenitrile
CID 86245871
(3R)-3-hydroxy-4,4-dimethyl-2-methylidenepentanenitrile
CID 169812921
2-Ethenyl-3-hydroxypent-4-enenitrile
CID 173159974
2-Ethenyl-3-hydroxy-4,4-dimethylpentanenitrile
CID 10582971
2-(1-Hydroxyethyl)-2-methylbut-3-enenitrile
CID 12522364

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylpent-4-enenitrile?
The IUPAC name of 3-hydroxy-2,2-dimethylpent-4-enenitrile (CID 21014899) is 3-hydroxy-2,2-dimethylpent-4-enenitrile.
What is the SMILES notation for 3-hydroxy-2,2-dimethylpent-4-enenitrile?
The canonical SMILES for 3-hydroxy-2,2-dimethylpent-4-enenitrile is C=CC(O)C(C)(C)C#N.
What is the InChIKey of 3-hydroxy-2,2-dimethylpent-4-enenitrile?
The InChIKey is NVHIMDDGDACOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(9)7(2,3)5-8/h4,6,9H,1H2,2-3H3.
What are the key properties of 3-hydroxy-2,2-dimethylpent-4-enenitrile?
3-hydroxy-2,2-dimethylpent-4-enenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylpent-4-enenitrile is sourced from PubChem (CID 21014899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).