ethyl cyclopenta-1,3-diene-1-carboxylate

C8H10O2 — CID 517124

IUPACethyl cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=CC=CC1
InChIInChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyWRTNZOCDIMWFSA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds2

About ethyl cyclopenta-1,3-diene-1-carboxylate

ethyl cyclopenta-1,3-diene-1-carboxylate (PubChem CID 517124) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is ethyl cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl cyclopenta-1,3-diene-1-carboxylate
PubChem CID517124
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameethyl cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=CC=CC1
InChIInChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyWRTNZOCDIMWFSA-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl cyclopenta-1,3-diene-1-carboxylate 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 ethyl cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl cyclopenta-1,3-diene-1-carboxylate (CID 517124) is ethyl cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl cyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=CC=CC1.
What is the InChIKey of ethyl cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is WRTNZOCDIMWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-10-8(9)7-5-3-4-6-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl cyclopenta-1,3-diene-1-carboxylate?
ethyl cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 138.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 517124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).