methyl 3-cyano-2-cyclohexylprop-2-enoate

C11H15NO2 — CID 69231273

IUPACmethyl 3-cyano-2-cyclohexylprop-2-enoate
SMILESCOC(=O)C(=CC#N)C1CCCCC1
InChIInChI=1S/C11H15NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyYRPABADSZDOTHJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.19
Rot. Bonds2

About methyl 3-cyano-2-cyclohexylprop-2-enoate

methyl 3-cyano-2-cyclohexylprop-2-enoate (PubChem CID 69231273) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-cyano-2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyano-2-cyclohexylprop-2-enoate
PubChem CID69231273
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-cyano-2-cyclohexylprop-2-enoate
SMILESCOC(=O)C(=CC#N)C1CCCCC1
InChIInChI=1S/C11H15NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyYRPABADSZDOTHJ-UHFFFAOYSA-N
XLogP2.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2,3-dicyclopentylprop-2-enoate
CID 57152498
methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
CID 174624623
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 3,3-dicyclopentyl-2-methylprop-2-enoate
CID 69335250
methyl (E)-2-chloro-3-cyanoprop-2-enoate
CID 82253996
methyl 2-(cyclopentanecarbonyl)prop-2-enoate
CID 126552661
[(E)-2-cyano-1-cyclopentylethenyl] trifluoromethanesulfonate
CID 154678249
methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
CID 174741411
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methyl (2E,3E)-5-cyclooctyl-2-ethylidene-3-formylhexa-3,5-dienoate
CID 171098240
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
(E)-2-cyclohexylbut-2-enedioyl dichloride
CID 139753219

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-2-cyclohexylprop-2-enoate?
The IUPAC name of methyl 3-cyano-2-cyclohexylprop-2-enoate (CID 69231273) is methyl 3-cyano-2-cyclohexylprop-2-enoate.
What is the SMILES notation for methyl 3-cyano-2-cyclohexylprop-2-enoate?
The canonical SMILES for methyl 3-cyano-2-cyclohexylprop-2-enoate is COC(=O)C(=CC#N)C1CCCCC1.
What is the InChIKey of methyl 3-cyano-2-cyclohexylprop-2-enoate?
The InChIKey is YRPABADSZDOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of methyl 3-cyano-2-cyclohexylprop-2-enoate?
methyl 3-cyano-2-cyclohexylprop-2-enoate has a molecular weight of 193.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-2-cyclohexylprop-2-enoate is sourced from PubChem (CID 69231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).