2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate

C11H14O2 — CID 7234

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CC2C=CC1C2
InChIInChI=1S/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2
InChIKeyIEOVKCGOIXZDRK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.93
Rot. Bonds3

About 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate

2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate (PubChem CID 7234) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate
PubChem CID7234
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CC2C=CC1C2
InChIInChI=1S/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2
InChIKeyIEOVKCGOIXZDRK-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2-methylolacrylate
CID 69810535
2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
CID 39850
Bicyclo(2.2.1)hept-5-ene-2-methanol, 2-acetate
CID 239427
[(1R,2S,3R,6R,7S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl] acetate
CID 13218118
bicyclo[2.2.1]hept-S-ene-2-exo-methyl acetate
CID 13788680
Bicyclo[2.2.1]hept-5-en-2-ylmethyl butanoate
CID 239429
[3-(Acetyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl acetate
CID 221295
5Endo,6endo-di-(acetoxymethyl)-bicyclo[2.2.1]hept-2-ene
CID 10966555
Exo-bicyclo[2.2.1]hept-5-ene-2-methanol acetate
CID 89153574
2-Bicyclo[2.2.1]hept-5-enylmethyl 2,2-dimethylpropanoate
CID 134850913
2-Bicyclo[2.2.1]hept-5-enylmethyl 2-fluoroprop-2-enoate
CID 139381242
2-Bicyclo[2.2.1]hept-5-enylmethyl 2,2,2-trifluoroacetate
CID 145323338

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate (CID 7234) is 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate is C=CC(=O)OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate?
The InChIKey is IEOVKCGOIXZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate?
2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate has a molecular weight of 178.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate is sourced from PubChem (CID 7234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).