(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile

C7H7NO2 — CID 143732619

IUPAC(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile
SMILESC=C(O)/C=C(/C#N)C(=C)O
InChIInChI=1S/C7H7NO2/c1-5(9)3-7(4-8)6(2)10/h3,9-10H,1-2H2/b7-3-
InChIKeyMEJHTTMWOXSKEA-CLTKARDFSA-N
MW137.14 g/mol
LogP1.58
Rot. Bonds2

About (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile

(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile (PubChem CID 143732619) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile
PubChem CID143732619
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile
SMILESC=C(O)/C=C(/C#N)C(=C)O
InChIInChI=1S/C7H7NO2/c1-5(9)3-7(4-8)6(2)10/h3,9-10H,1-2H2/b7-3-
InChIKeyMEJHTTMWOXSKEA-CLTKARDFSA-N
XLogP1.58
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(3E)-3-fluoro-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142974058
(2E)-3-fluoro-2-(1-hydroxyethenyl)penta-2,4-dienenitrile
CID 169861858
(3Z)-5-hydroxy-2-methylidenehepta-3,5,6-trienenitrile
CID 118928177
(3Z)-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 126723082
(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienenitrile
CID 141779844
ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
CID 143198232
(2E)-2-ethenyl-4-hydroxypenta-2,4-dienenitrile
CID 144851315
(3E)-3-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 145674783
(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
CID 149153632
(2E,3Z)-2-ethylidene-5-hydroxy-4-methylhexa-3,5-dienenitrile
CID 163549031
(E)-2-(1-hydroxyethenyl)but-2-enenitrile
CID 169804338
(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
CID 143198233

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile?
The IUPAC name of (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile (CID 143732619) is (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile.
What is the SMILES notation for (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile?
The canonical SMILES for (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile is C=C(O)/C=C(/C#N)C(=C)O.
What is the InChIKey of (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile?
The InChIKey is MEJHTTMWOXSKEA-CLTKARDFSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(9)3-7(4-8)6(2)10/h3,9-10H,1-2H2/b7-3-.
What are the key properties of (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile?
(2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile has a molecular weight of 137.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-hydroxy-2-(1-hydroxyethenyl)penta-2,4-dienenitrile is sourced from PubChem (CID 143732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).