2-hydroxy-2-prop-2-enylpent-4-enenitrile

C8H11NO — CID 87932764

IUPAC2-hydroxy-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(O)(C#N)CC=C
InChIInChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-6H2
InChIKeyJDEVMUSGBQXSBV-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds4

About 2-hydroxy-2-prop-2-enylpent-4-enenitrile

2-hydroxy-2-prop-2-enylpent-4-enenitrile (PubChem CID 87932764) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-hydroxy-2-prop-2-enylpent-4-enenitrile.

Molecular Properties

Compound Name2-hydroxy-2-prop-2-enylpent-4-enenitrile
PubChem CID87932764
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-hydroxy-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(O)(C#N)CC=C
InChIInChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-6H2
InChIKeyJDEVMUSGBQXSBV-UHFFFAOYSA-N
XLogP1.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-prop-2-enylpent-4-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-prop-2-enylpent-4-enenitrile?
The IUPAC name of 2-hydroxy-2-prop-2-enylpent-4-enenitrile (CID 87932764) is 2-hydroxy-2-prop-2-enylpent-4-enenitrile.
What is the SMILES notation for 2-hydroxy-2-prop-2-enylpent-4-enenitrile?
The canonical SMILES for 2-hydroxy-2-prop-2-enylpent-4-enenitrile is C=CCC(O)(C#N)CC=C.
What is the InChIKey of 2-hydroxy-2-prop-2-enylpent-4-enenitrile?
The InChIKey is JDEVMUSGBQXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-6H2.
What are the key properties of 2-hydroxy-2-prop-2-enylpent-4-enenitrile?
2-hydroxy-2-prop-2-enylpent-4-enenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-prop-2-enylpent-4-enenitrile is sourced from PubChem (CID 87932764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).