5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C9H12O2 — CID 556538

IUPAC5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1C(C)CC2C(=O)OCC12
InChIInChI=1S/C9H12O2/c1-5-3-7-8(6(5)2)4-11-9(7)10/h5,7-8H,2-4H2,1H3
InChIKeyOHQFCLAXXQLXGE-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.37
Rot. Bonds

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

5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 556538) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID556538
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1C(C)CC2C(=O)OCC12
InChIInChI=1S/C9H12O2/c1-5-3-7-8(6(5)2)4-11-9(7)10/h5,7-8H,2-4H2,1H3
InChIKeyOHQFCLAXXQLXGE-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

3a,4,7,7a-Tetrahydro-4,7-methano-2-benzofuran-1(3H)-one
CID 262983
(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11286562
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
(2R,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 12358288
ethyl (3aS,6R,6aR)-4-methylidene-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 138978748
Cyclopentanecarboxylic acid, 3-methylene-2-methoxymethyl-, methyl ester
CID 542462
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-7-methylene-
CID 556374
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-6-methylene-, trans-
CID 556724
Diethyl 3-methyl-4-methylene-1,2-cyclopentanedicarboxylate
CID 564796

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 556538) is 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is C=C1C(C)CC2C(=O)OCC12.
What is the InChIKey of 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is OHQFCLAXXQLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-5-3-7-8(6(5)2)4-11-9(7)10/h5,7-8H,2-4H2,1H3.
What are the key properties of 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 556538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).