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

C8H10O3 — CID 12685826

IUPAC1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione
SMILESCC1OC(=O)C2C(=O)CCC12
InChIInChI=1S/C8H10O3/c1-4-5-2-3-6(9)7(5)8(10)11-4/h4-5,7H,2-3H2,1H3
InChIKeyKAUOWACGUDPWBT-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.53
Rot. Bonds

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

1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione (PubChem CID 12685826) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione.

Molecular Properties

Compound Name1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione
PubChem CID12685826
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione
SMILESCC1OC(=O)C2C(=O)CCC12
InChIInChI=1S/C8H10O3/c1-4-5-2-3-6(9)7(5)8(10)11-4/h4-5,7H,2-3H2,1H3
InChIKeyKAUOWACGUDPWBT-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione with MolForge

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Related Compounds

(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
1H-Cyclopenta[c]furan-1,4(3H)-dione, tetrahydro-
CID 330274
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
(3aR,6aS)-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3,6-dione
CID 10909643
Ctk2I3105
CID 11073507
2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetaldehyde
CID 11400998
cis-3,3-Dimethyl-3,3a,4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-1,6-dione
CID 91057365
3-(2-Oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 135004916
(3S,3aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265860
(3R,3aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265867
(3R,3aS,6aR)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265870

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione?
The IUPAC name of 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione (CID 12685826) is 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione.
What is the SMILES notation for 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione?
The canonical SMILES for 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione is CC1OC(=O)C2C(=O)CCC12.
What is the InChIKey of 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione?
The InChIKey is KAUOWACGUDPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-5-2-3-6(9)7(5)8(10)11-4/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione?
1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,4-dione is sourced from PubChem (CID 12685826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).