methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate

C10H10O4 — CID 69161763

IUPACmethyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate
SMILESCOC(=O)c1coc(=O)c2c1CCC2
InChIInChI=1S/C10H10O4/c1-13-9(11)8-5-14-10(12)7-4-2-3-6(7)8/h5H,2-4H2,1H3
InChIKeyFXJUYVFIERQYMR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.92
Rot. Bonds1

About methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate

methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate (PubChem CID 69161763) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate
PubChem CID69161763
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate
SMILESCOC(=O)c1coc(=O)c2c1CCC2
InChIInChI=1S/C10H10O4/c1-13-9(11)8-5-14-10(12)7-4-2-3-6(7)8/h5H,2-4H2,1H3
InChIKeyFXJUYVFIERQYMR-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate?
The IUPAC name of methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate (CID 69161763) is methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate.
What is the SMILES notation for methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate?
The canonical SMILES for methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate is COC(=O)c1coc(=O)c2c1CCC2.
What is the InChIKey of methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate?
The InChIKey is FXJUYVFIERQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-9(11)8-5-14-10(12)7-4-2-3-6(7)8/h5H,2-4H2,1H3.
What are the key properties of methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate?
methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxo-6,7-dihydro-5H-cyclopenta[c]pyran-4-carboxylate is sourced from PubChem (CID 69161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).