(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile

C10H15NO — CID 130129151

IUPAC(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
SMILESN#CC(O)/C=C/C1CCCCC1
InChIInChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h6-7,9-10,12H,1-5H2/b7-6+
InChIKeyNEODJAKWYLFMKX-VOTSOKGWSA-N
MW165.24 g/mol
LogP2.01
Rot. Bonds2

About (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile

(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile (PubChem CID 130129151) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile.

Molecular Properties

Compound Name(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
PubChem CID130129151
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
SMILESN#CC(O)/C=C/C1CCCCC1
InChIInChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h6-7,9-10,12H,1-5H2/b7-6+
InChIKeyNEODJAKWYLFMKX-VOTSOKGWSA-N
XLogP2.01
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 ≤ 52.01
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'}

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Related Compounds

2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824
[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
CID 10757160
(E,3R)-5-cyclohexyl-3-(trifluoromethyl)pent-4-enamide
CID 102092702
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
3-cyclobutylprop-2-enenitrile
CID 67335602
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
prop-1-enylcyclododecane
CID 139760926

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile?
The IUPAC name of (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile (CID 130129151) is (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile.
What is the SMILES notation for (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile?
The canonical SMILES for (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile is N#CC(O)/C=C/C1CCCCC1.
What is the InChIKey of (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile?
The InChIKey is NEODJAKWYLFMKX-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h6-7,9-10,12H,1-5H2/b7-6+.
What are the key properties of (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile?
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexyl-2-hydroxybut-3-enenitrile is sourced from PubChem (CID 130129151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).