prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate

C11H14O3 — CID 155678353

IUPACprop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
SMILESC=CC(=O)OC(=O)C1(C)C=CCCC1
InChIInChI=1S/C11H14O3/c1-3-9(12)14-10(13)11(2)7-5-4-6-8-11/h3,5,7H,1,4,6,8H2,2H3
InChIKeyAJNRIIOGWGXCQB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.99
Rot. Bonds2

About prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate

prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate (PubChem CID 155678353) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
PubChem CID155678353
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameprop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
SMILESC=CC(=O)OC(=O)C1(C)C=CCCC1
InChIInChI=1S/C11H14O3/c1-3-9(12)14-10(13)11(2)7-5-4-6-8-11/h3,5,7H,1,4,6,8H2,2H3
InChIKeyAJNRIIOGWGXCQB-UHFFFAOYSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
CID 155973420
2-methylbut-3-en-2-yl 1-hydroperoxycyclohex-2-ene-1-carboxylate
CID 173386708
(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
CID 86205503
spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
CID 164546880
(1-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
CID 21131316
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
CID 170137242
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
ethenyl 1-methylcyclohex-3-ene-1-carboxylate
CID 102248090
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate?
The IUPAC name of prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate (CID 155678353) is prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate is C=CC(=O)OC(=O)C1(C)C=CCCC1.
What is the InChIKey of prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate?
The InChIKey is AJNRIIOGWGXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-9(12)14-10(13)11(2)7-5-4-6-8-11/h3,5,7H,1,4,6,8H2,2H3.
What are the key properties of prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate?
prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 155678353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).