(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate

C10H10O4 — CID 59711401

IUPAC(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OC2C=CCC21
InChIInChI=1S/C10H10O4/c1-2-8(11)14-9-6-4-3-5-7(6)13-10(9)12/h2-3,5-7,9H,1,4H2
InChIKeyJKWWMWTUPDAMMA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.59
Rot. Bonds2

About (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate

(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate (PubChem CID 59711401) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate
PubChem CID59711401
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OC2C=CCC21
InChIInChI=1S/C10H10O4/c1-2-8(11)14-9-6-4-3-5-7(6)13-10(9)12/h2-3,5-7,9H,1,4H2
InChIKeyJKWWMWTUPDAMMA-UHFFFAOYSA-N
XLogP0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) 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-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate?
The IUPAC name of (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate (CID 59711401) is (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate.
What is the SMILES notation for (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate?
The canonical SMILES for (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate is C=CC(=O)OC1C(=O)OC2C=CCC21.
What is the InChIKey of (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate?
The InChIKey is JKWWMWTUPDAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-8(11)14-9-6-4-3-5-7(6)13-10(9)12/h2-3,5-7,9H,1,4H2.
What are the key properties of (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate?
(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl) prop-2-enoate is sourced from PubChem (CID 59711401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).