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

C9H12O2 — CID 23392231

IUPAC3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(C)C1
InChIInChI=1S/C9H12O2/c1-6-3-7-5-11-8(10)9(7,2)4-6/h7H,1,3-5H2,2H3
InChIKeyRLIWSXZJDSVUNE-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.52
Rot. Bonds

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

3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 23392231) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID23392231
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(C)C1
InChIInChI=1S/C9H12O2/c1-6-3-7-5-11-8(10)9(7,2)4-6/h7H,1,3-5H2,2H3
InChIKeyRLIWSXZJDSVUNE-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
2,6-Dimethyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
CID 548788
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-(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
(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 134933988
Methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 23392231) is 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(C)C1.
What is the InChIKey of 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is RLIWSXZJDSVUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-3-7-5-11-8(10)9(7,2)4-6/h7H,1,3-5H2,2H3.
What are the key properties of 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 23392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).