methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate

C10H12O3 — CID 10103758

IUPACmethyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate
SMILESC=C1C(=O)C(C)=C(C)C1C(=O)OC
InChIInChI=1S/C10H12O3/c1-5-6(2)9(11)7(3)8(5)10(12)13-4/h8H,3H2,1-2,4H3
InChIKeyFGWPKXSVSDUYAR-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.25
Rot. Bonds1

About methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate

methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate (PubChem CID 10103758) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate
PubChem CID10103758
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate
SMILESC=C1C(=O)C(C)=C(C)C1C(=O)OC
InChIInChI=1S/C10H12O3/c1-5-6(2)9(11)7(3)8(5)10(12)13-4/h8H,3H2,1-2,4H3
InChIKeyFGWPKXSVSDUYAR-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,2,3-Trimethyl-5-oxocyclopent-3-en-1-yl)acetate
CID 9542992
2,3-Dimethyl-4-oxo-2-cyclopentene-1-carboxylic acid
CID 129670889
Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
[(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetate
CID 57339248
Desepoxy-4,5-didehydromethylenomycin A
CID 102509096
(1S)-2-[(2S)-butan-2-yl]-3-methyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylic acid
CID 163111395
(1S)-3-methyl-5-methylidene-4-oxo-2-propan-2-ylcyclopent-2-ene-1-carboxylic acid
CID 163113844
Ethyl 5-acetylcyclopentene-1-carboxylate
CID 10329981
Methyl 2-methyl-4-oxocyclohex-2-enecarboxylate
CID 11019249
Sarkomycin methyl ester
CID 13877286
(2-Oxocyclohex-3-enyl)acetic acid, methyl ester
CID 549432
Ethyl 2-(5-oxo-1-cyclopentenyl)acetate
CID 11355698

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate (CID 10103758) is methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate is C=C1C(=O)C(C)=C(C)C1C(=O)OC.
What is the InChIKey of methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate?
The InChIKey is FGWPKXSVSDUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-6(2)9(11)7(3)8(5)10(12)13-4/h8H,3H2,1-2,4H3.
What are the key properties of methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate?
methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 10103758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).