3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

C10H14O2 — CID 20720824

IUPAC3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(CC)C1
InChIInChI=1S/C10H14O2/c1-3-10-5-7(2)4-8(10)6-12-9(10)11/h8H,2-6H2,1H3
InChIKeyPUFDMNYQHQUDBD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds1

About 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 20720824) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID20720824
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(CC)C1
InChIInChI=1S/C10H14O2/c1-3-10-5-7(2)4-8(10)6-12-9(10)11/h8H,2-6H2,1H3
InChIKeyPUFDMNYQHQUDBD-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-4,4-dimethyl-
CID 556218
5-Methylene-tetrahydro-cyclopenta[c]furan-1,3-dione
CID 556384
3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene
CID 556708
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-
CID 564525
Ethyl 2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 73820219
Ethyl 2-(1-methyl-2-methylidenecyclopentyl)propanoate
CID 129216334
(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one
CID 10855854
(3aS,6aS)-3a-acetyl-4-methylidene-1,5,6,6a-tetrahydrocyclopenta[c]furan-3-one
CID 11263851
ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetate
CID 13572317
(3aR,4R,6aS)-5,5-dimethyl-4-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 14482484

Frequently Asked Questions

What is the IUPAC name of 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 20720824) is 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(CC)C1.
What is the InChIKey of 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is PUFDMNYQHQUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-10-5-7(2)4-8(10)6-12-9(10)11/h8H,2-6H2,1H3.
What are the key properties of 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-ethyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 20720824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).