5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one

C11H12O4 — CID 57303507

IUPAC5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one
SMILESCOC1C(=O)OC=C2CCC(C(C)=O)=C21
InChIInChI=1S/C11H12O4/c1-6(12)8-4-3-7-5-15-11(13)10(14-2)9(7)8/h5,10H,3-4H2,1-2H3
InChIKeyDMJBVXGFZJFLFE-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.12
Rot. Bonds2

About 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one

5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one (PubChem CID 57303507) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one
PubChem CID57303507
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one
SMILESCOC1C(=O)OC=C2CCC(C(C)=O)=C21
InChIInChI=1S/C11H12O4/c1-6(12)8-4-3-7-5-15-11(13)10(14-2)9(7)8/h5,10H,3-4H2,1-2H3
InChIKeyDMJBVXGFZJFLFE-UHFFFAOYSA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-8-oxo-2,3-dihydro-1H-azulene-4-carboxylate
CID 15642659
Ethyl 6-methoxy-5-oxo-1,2,3,4-tetrahydrobenzo[7]annulene-9-carboxylate
CID 15642660
5,6-Dimethoxy-1-methylidenespiro[2,3-dihydroindene-7,2'-oxirane]-4-one
CID 15004559
[(2R)-2-(2-methyl-6-oxocyclohexen-1-yl)oxybut-3-enyl] acetate
CID 101049560
ethyl 3-hydroxy-2-oxo-5,6-dihydro-4H-1-benzofuran-7-carboxylate
CID 54691499
7-Methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid
CID 23055428
methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate
CID 54356226
Ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate
CID 57142865
methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate
CID 69161763
5,6-Dimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141073702
4,5,6-Trimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141237646
methyl (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoate
CID 176964060

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one?
The IUPAC name of 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one (CID 57303507) is 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one?
The canonical SMILES for 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one is COC1C(=O)OC=C2CCC(C(C)=O)=C21.
What is the InChIKey of 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one?
The InChIKey is DMJBVXGFZJFLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6(12)8-4-3-7-5-15-11(13)10(14-2)9(7)8/h5,10H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one?
5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one has a molecular weight of 208.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 57303507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).