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

C10H15NO — CID 143198232

IUPACethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/C#N)C(=C)O.CC
InChIInChI=1S/C8H9NO.C2H6/c1-6(2)4-8(5-9)7(3)10;1-2/h4,10H,1,3H2,2H3;1-2H3/b8-4-;
InChIKeyHWNNRLWTTMVOSP-ZYFYRQFPSA-N
MW165.24 g/mol
LogP3.11
Rot. Bonds2

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

ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile (PubChem CID 143198232) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Nameethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
PubChem CID143198232
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/C#N)C(=C)O.CC
InChIInChI=1S/C8H9NO.C2H6/c1-6(2)4-8(5-9)7(3)10;1-2/h4,10H,1,3H2,2H3;1-2H3/b8-4-;
InChIKeyHWNNRLWTTMVOSP-ZYFYRQFPSA-N
XLogP3.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.11
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
(3E,5E)-3-fluoro-5-(hydroxymethyl)-2-methylidenehepta-3,5-dienenitrile
CID 141947983
4-Hydroxy-2-methylbenzene-6-ide-1-carbonitrile;yttrium
CID 60068937
2-Hydroxy-5-methylcyclohepta-1,3,6-triene-1-carbonitrile
CID 68324994
(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
2-(4-Hydroxy-3,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)propanedinitrile
CID 91343811
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The IUPAC name of ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile (CID 143198232) is ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile is C=C(C)/C=C(/C#N)C(=C)O.CC.
What is the InChIKey of ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
The InChIKey is HWNNRLWTTMVOSP-ZYFYRQFPSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-6(2)4-8(5-9)7(3)10;1-2/h4,10H,1,3H2,2H3;1-2H3/b8-4-;.
What are the key properties of ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile?
ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile has a molecular weight of 165.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-(1-hydroxyethenyl)-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 143198232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).