[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate

C15H18O3 — CID 21269453

IUPAC[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OC(C=O)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C15H18O3/c1-2-14(17)18-15(11-16,12-7-3-4-8-12)13-9-5-6-10-13/h2,7,9,11H,1,3-6,8,10H2
InChIKeyMKWBZUOSWZADRU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.87
Rot. Bonds5

About [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate

[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate (PubChem CID 21269453) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate
PubChem CID21269453
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OC(C=O)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C15H18O3/c1-2-14(17)18-15(11-16,12-7-3-4-8-12)13-9-5-6-10-13/h2,7,9,11H,1,3-6,8,10H2
InChIKeyMKWBZUOSWZADRU-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1,1-di(cyclopenten-1-yl)-2-oxoethyl] 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 [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate (CID 21269453) is [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate is C=CC(=O)OC(C=O)(C1=CCCC1)C1=CCCC1.
What is the InChIKey of [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate?
The InChIKey is MKWBZUOSWZADRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-14(17)18-15(11-16,12-7-3-4-8-12)13-9-5-6-10-13/h2,7,9,11H,1,3-6,8,10H2.
What are the key properties of [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate?
[1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-di(cyclopenten-1-yl)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 21269453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).