dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate

C9H10O5 — CID 59165463

IUPACdimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(=O)CC1C(=O)OC
InChIInChI=1S/C9H10O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,7H,4H2,1-2H3
InChIKeyUXXILRIBZIPSGQ-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.15
Rot. Bonds2

About dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate

dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate (PubChem CID 59165463) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate
PubChem CID59165463
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namedimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(=O)CC1C(=O)OC
InChIInChI=1S/C9H10O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,7H,4H2,1-2H3
InChIKeyUXXILRIBZIPSGQ-UHFFFAOYSA-N
XLogP-0.15
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate (CID 59165463) is dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate is COC(=O)C1=CC(=O)CC1C(=O)OC.
What is the InChIKey of dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is UXXILRIBZIPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,7H,4H2,1-2H3.
What are the key properties of dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate?
dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 198.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-oxocyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 59165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).