(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile

C8H9NO — CID 143198233

IUPAC(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/C#N)C(=C)O
InChIInChI=1S/C8H9NO/c1-6(2)4-8(5-9)7(3)10/h4,10H,1,3H2,2H3/b8-4-
InChIKeyNVJUOYQLFQXGIA-YWEYNIOJSA-N
MW135.17 g/mol
LogP2.08
Rot. Bonds2

About (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile

(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile (PubChem CID 143198233) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
PubChem CID143198233
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/C#N)C(=C)O
InChIInChI=1S/C8H9NO/c1-6(2)4-8(5-9)7(3)10/h4,10H,1,3H2,2H3/b8-4-
InChIKeyNVJUOYQLFQXGIA-YWEYNIOJSA-N
XLogP2.08
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The IUPAC name of (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile (CID 143198233) is (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile is C=C(C)/C=C(/C#N)C(=C)O.
What is the InChIKey of (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The InChIKey is NVJUOYQLFQXGIA-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H9NO/c1-6(2)4-8(5-9)7(3)10/h4,10H,1,3H2,2H3/b8-4-.
What are the key properties of (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile has a molecular weight of 135.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 143198233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).