4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione

C8H8O3 — CID 20705467

IUPAC4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione
SMILESC=C1C(=O)C(=O)C(C)=C1OC
InChIInChI=1S/C8H8O3/c1-4-6(9)7(10)5(2)8(4)11-3/h1H2,2-3H3
InChIKeyMGGYRKYQTHSILJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.61
Rot. Bonds1

About 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione

4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione (PubChem CID 20705467) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione.

Molecular Properties

Compound Name4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione
PubChem CID20705467
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione
SMILESC=C1C(=O)C(=O)C(C)=C1OC
InChIInChI=1S/C8H8O3/c1-4-6(9)7(10)5(2)8(4)11-3/h1H2,2-3H3
InChIKeyMGGYRKYQTHSILJ-UHFFFAOYSA-N
XLogP0.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-4-methylidenecyclopent-2-en-1-one
CID 15366924
3-Methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
CID 20669374
2-Methyl-5-methylidene-3,4-dioxocyclopenten-1-olate
CID 22957359
(3E,5E)-5-methoxyhepta-1,3,5-triene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one;4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione
CID 91595934
3-Methoxy-4-methylidene-2-propan-2-ylcyclobut-2-en-1-one
CID 118895070
3-Ethylidene-2-(2-methoxypropylidene)oxepan-4-one
CID 123288487
(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one
CID 12033466
(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one
CID 23240958
(5Z)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one
CID 45090854
[(5E)-2-methyl-4-oxo-5-propylidenecyclopenten-1-yl] acetate
CID 60201341
2-Cyclopenten-1-one, 5-ethylidene-3-methoxy-4-methylene-
CID 75089235
(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one
CID 101054185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione?
The IUPAC name of 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione (CID 20705467) is 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione.
What is the SMILES notation for 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione?
The canonical SMILES for 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione is C=C1C(=O)C(=O)C(C)=C1OC.
What is the InChIKey of 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione?
The InChIKey is MGGYRKYQTHSILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-6(9)7(10)5(2)8(4)11-3/h1H2,2-3H3.
What are the key properties of 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione?
4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione has a molecular weight of 152.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione is sourced from PubChem (CID 20705467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).