3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate

C13H16O2 — CID 3037072

IUPAC3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
SMILESC=CC(=O)OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2
InChIKeyISRJTGUYHVPAOR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.32
Rot. Bonds2

About 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate

3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate (PubChem CID 3037072) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
PubChem CID3037072
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
SMILESC=CC(=O)OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2
InChIKeyISRJTGUYHVPAOR-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.32
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

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Dicyclopentenyloxyethyl acrylate
CID 93359
2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
CID 39850
2-Propenoic acid, 2-methyl-, 2-((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl)oxy)ethyl ester
CID 129819
QM-657
CID 121494099
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-2-methyl-5-methylene-, 6-acetate, (3aR,4R,6S,7S,7aR)-rel-
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3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene
CID 13425224
2-Propenoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester
CID 12577030
2-(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate
CID 20607916
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, 6-acetate, (3aR,4S,6R,7R,7aS)-rel-
CID 44145973
2-Propenoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl ester
CID 3034476

Frequently Asked Questions

What is the IUPAC name of 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate (CID 3037072) is 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate is C=CC(=O)OC1C=CC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
The InChIKey is ISRJTGUYHVPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2.
What are the key properties of 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate?
3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate is sourced from PubChem (CID 3037072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).