methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate

C8H10O3 — CID 45083088

IUPACmethyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1C(=O)C=CC1C
InChIInChI=1S/C8H10O3/c1-5-3-4-6(9)7(5)8(10)11-2/h3-5,7H,1-2H3
InChIKeyFPYJBTNANPQLOT-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.55
Rot. Bonds1

About methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate

methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate (PubChem CID 45083088) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate
PubChem CID45083088
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1C(=O)C=CC1C
InChIInChI=1S/C8H10O3/c1-5-3-4-6(9)7(5)8(10)11-2/h3-5,7H,1-2H3
InChIKeyFPYJBTNANPQLOT-UHFFFAOYSA-N
XLogP0.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
CID 549414
Methyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 15581456
Ethyl 1-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 274454
(1-Methyl-2-oxocyclopent-3-en-1-yl)methyl acetate
CID 85796400
methyl (1S)-1-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 45090168
Ethyl 2-oxocyclohex-3-ene-1-carboxylate
CID 12579005
2-Ethyl-3-ketohex-4-enoic acid
CID 54377673
Methyl 4-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 59856273
Acetyl 2,5-dioxocyclopent-3-ene-1-carboxylate
CID 91018740
Acetyl 2,5-dioxocyclopent-3-ene-1-carboperoxoate
CID 129637395
ethyl (1R,6S)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12596497
dimethyl (E)-5-acetylhex-2-enedioate
CID 15780893

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate (CID 45083088) is methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate is COC(=O)C1C(=O)C=CC1C.
What is the InChIKey of methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate?
The InChIKey is FPYJBTNANPQLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-4-6(9)7(5)8(10)11-2/h3-5,7H,1-2H3.
What are the key properties of methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate?
methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 45083088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).