[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

C14H18O4 — CID 59392253

IUPAC[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2CCOC2=O)CC2CCC1C2
InChIInChI=1S/C14H18O4/c1-2-12(15)18-14(11-5-6-17-13(11)16)8-9-3-4-10(14)7-9/h2,9-11H,1,3-8H2
InChIKeyBRNKZGDQCVWHSQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.84
Rot. Bonds3

About [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (PubChem CID 59392253) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
PubChem CID59392253
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2CCOC2=O)CC2CCC1C2
InChIInChI=1S/C14H18O4/c1-2-12(15)18-14(11-5-6-17-13(11)16)8-9-3-4-10(14)7-9/h2,9-11H,1,3-8H2
InChIKeyBRNKZGDQCVWHSQ-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-oxooxolan-3-yl)-2-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

Frequently Asked Questions

What is the IUPAC name of [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The IUPAC name of [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (CID 59392253) is [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.
What is the SMILES notation for [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The canonical SMILES for [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is C=CC(=O)OC1(C2CCOC2=O)CC2CCC1C2.
What is the InChIKey of [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The InChIKey is BRNKZGDQCVWHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-12(15)18-14(11-5-6-17-13(11)16)8-9-3-4-10(14)7-9/h2,9-11H,1,3-8H2.
What are the key properties of [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
[2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is sourced from PubChem (CID 59392253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).