2-ethoxycarbonylcyclopenten-1-olate

C8H11O3- — CID 100929677

IUPAC2-ethoxycarbonylcyclopenten-1-olate
SMILESCCOC(=O)C1=C([O-])CCC1
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h9H,2-5H2,1H3/p-1
InChIKeyIZIOZVHSIDPDHX-UHFFFAOYSA-M
MW155.17 g/mol
LogP0.35
Rot. Bonds2

About 2-ethoxycarbonylcyclopenten-1-olate

2-ethoxycarbonylcyclopenten-1-olate (PubChem CID 100929677) has the molecular formula C8H11O3- and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-ethoxycarbonylcyclopenten-1-olate.

Molecular Properties

Compound Name2-ethoxycarbonylcyclopenten-1-olate
PubChem CID100929677
Molecular FormulaC8H11O3-
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-ethoxycarbonylcyclopenten-1-olate
SMILESCCOC(=O)C1=C([O-])CCC1
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h9H,2-5H2,1H3/p-1
InChIKeyIZIOZVHSIDPDHX-UHFFFAOYSA-M
XLogP0.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxycarbonylcyclopenten-1-olate 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-ethoxycarbonylcyclopenten-1-olate?
The IUPAC name of 2-ethoxycarbonylcyclopenten-1-olate (CID 100929677) is 2-ethoxycarbonylcyclopenten-1-olate.
What is the SMILES notation for 2-ethoxycarbonylcyclopenten-1-olate?
The canonical SMILES for 2-ethoxycarbonylcyclopenten-1-olate is CCOC(=O)C1=C([O-])CCC1.
What is the InChIKey of 2-ethoxycarbonylcyclopenten-1-olate?
The InChIKey is IZIOZVHSIDPDHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h9H,2-5H2,1H3/p-1.
What are the key properties of 2-ethoxycarbonylcyclopenten-1-olate?
2-ethoxycarbonylcyclopenten-1-olate has a molecular weight of 155.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonylcyclopenten-1-olate is sourced from PubChem (CID 100929677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).