(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate

C13H16O4 — CID 57103499

IUPAC(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1(OC(=O)C=C)C2CCC1CC2
InChIInChI=1S/C13H16O4/c1-3-11(14)16-13(17-12(15)4-2)9-5-6-10(13)8-7-9/h3-4,9-10H,1-2,5-8H2
InChIKeyVELAQIAYOGOWCZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.96
Rot. Bonds4

About (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate

(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 57103499) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound Name(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID57103499
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1(OC(=O)C=C)C2CCC1CC2
InChIInChI=1S/C13H16O4/c1-3-11(14)16-13(17-12(15)4-2)9-5-6-10(13)8-7-9/h3-4,9-10H,1-2,5-8H2
InChIKeyVELAQIAYOGOWCZ-UHFFFAOYSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
[oxo(prop-2-enoyloxy)silyl] prop-2-enoate
CID 156761667
methylsiloxane acrylate
CID 54121741
CID 159294157
CID 159294157
[2-(1,1,3,3,3-pentafluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.2]octanyl] prop-2-enoate
CID 58995477
(2,5-dimethyl-2-adamantyl) prop-2-enoate
CID 58844013
1-bicyclo[2.2.1]heptanyl prop-2-enoate;methyl prop-2-enoate
CID 175853176
(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 140551082
(1,3-diaminocyclohexyl) prop-2-enoate
CID 174584266
[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
CID 58734457

Frequently Asked Questions

What is the IUPAC name of (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 57103499) is (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=CC(=O)OC1(OC(=O)C=C)C2CCC1CC2.
What is the InChIKey of (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is VELAQIAYOGOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-11(14)16-13(17-12(15)4-2)9-5-6-10(13)8-7-9/h3-4,9-10H,1-2,5-8H2.
What are the key properties of (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate?
(7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-prop-2-enoyloxy-7-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 57103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).