(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile

C7H9NO — CID 149153632

IUPAC(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
SMILESC=C(O)/C(C#N)=C\CC
InChIInChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h4,9H,2-3H2,1H3/b7-4-
InChIKeyRMOUXCKWIZASEQ-DAXSKMNVSA-N
MW123.16 g/mol
LogP1.92
Rot. Bonds2

About (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile

(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile (PubChem CID 149153632) has the molecular formula C7H9NO and a molecular weight of 123.16 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
PubChem CID149153632
Molecular FormulaC7H9NO
Molecular Weight123.16 g/mol
Exact Mass123.07
IUPAC Name(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
SMILESC=C(O)/C(C#N)=C\CC
InChIInChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h4,9H,2-3H2,1H3/b7-4-
InChIKeyRMOUXCKWIZASEQ-DAXSKMNVSA-N
XLogP1.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.92
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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Related Compounds

(3E)-3-fluoro-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142974058
(2E)-2-(1-Hydroxy-1-methylethyl)-2-butenedinitrile
CID 131862954
(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
CID 101397632
(3Z,5Z)-5-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 88580927
(3E,5Z)-7-hydroxy-3-methylocta-3,5,7-trienenitrile
CID 89101945
(E)-2-(1-hydroxyethenyl)-4,4-dimethylpent-2-enenitrile
CID 90452512
(3Z)-5-hydroxy-2-methylidenehepta-3,5,6-trienenitrile
CID 118928177
(3Z)-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 126723082
(3Z,7Z)-9-hydroxy-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 134242142
(2E)-4-hydroxy-2-[(E)-2-hydroxyprop-1-enyl]penta-2,4-dienenitrile
CID 134361097
(3Z)-5-hydroxy-6-methyl-2-propan-2-ylidenehepta-3,5-dienenitrile
CID 134372053
6-Hydroxy-3-methylcyclohexa-1,5-diene-1-carbonitrile
CID 135215340

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile?
The IUPAC name of (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile (CID 149153632) is (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile.
What is the SMILES notation for (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile?
The canonical SMILES for (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile is C=C(O)/C(C#N)=C\CC.
What is the InChIKey of (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile?
The InChIKey is RMOUXCKWIZASEQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h4,9H,2-3H2,1H3/b7-4-.
What are the key properties of (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile?
(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile has a molecular weight of 123.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethenyl)pent-2-enenitrile is sourced from PubChem (CID 149153632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).