4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile

C12H17NO — CID 88947534

IUPAC4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile
SMILESC=C(C=C1CCC(C#N)CC1)OCC
InChIInChI=1S/C12H17NO/c1-3-14-10(2)8-11-4-6-12(9-13)7-5-11/h8,12H,2-7H2,1H3/b11-8-
InChIKeyUWNQLVSXKCUEQN-FLIBITNWSA-N
MW191.27 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile

4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile (PubChem CID 88947534) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile
PubChem CID88947534
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile
SMILESC=C(C=C1CCC(C#N)CC1)OCC
InChIInChI=1S/C12H17NO/c1-3-14-10(2)8-11-4-6-12(9-13)7-5-11/h8,12H,2-7H2,1H3/b11-8-
InChIKeyUWNQLVSXKCUEQN-FLIBITNWSA-N
XLogP3.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl (3S,4S)-4-cyano-3-fluoropiperidine-1-carboxylate
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ethane;ethyl 2-(4-acetamidocyclohexylidene)acetate
CID 142518944
ethyl 2-cyclobutylideneacetate
CID 15724666
4-(3-ethoxy-3-hydroxy-2-methylpropyl)cyclohexane-1-carbonitrile
CID 70843790
(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
CID 70300017
4-(2-ethylbut-1-enyl)cyclohexane-1-carbonitrile
CID 166943874
2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
trans-ethyl (1R,2S)-2-cyanocyclohexane-1-carboxylate
CID 71407745
ethyl 4-propylidenecyclohexane-1-carboxylate
CID 123984954
ethyl 4-(2-cyanopentanoyl)piperazine-1-carboxylate
CID 107876931
ethyl (3Z)-3-(cyanomethylidene)pyrrolidine-1-carboxylate
CID 69037044

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile (CID 88947534) is 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile is C=C(C=C1CCC(C#N)CC1)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile?
The InChIKey is UWNQLVSXKCUEQN-FLIBITNWSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-14-10(2)8-11-4-6-12(9-13)7-5-11/h8,12H,2-7H2,1H3/b11-8-.
What are the key properties of 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile?
4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile has a molecular weight of 191.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile is sourced from PubChem (CID 88947534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).