3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one

C7H8O2 — CID 20669374

IUPAC3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
SMILESC=C1C(=O)C(C)=C1OC
InChIInChI=1S/C7H8O2/c1-4-6(8)5(2)7(4)9-3/h1H2,2-3H3
InChIKeyIVLWWALAAPNZFI-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.05
Rot. Bonds1

About 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one

3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one (PubChem CID 20669374) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
PubChem CID20669374
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
SMILESC=C1C(=O)C(C)=C1OC
InChIInChI=1S/C7H8O2/c1-4-6(8)5(2)7(4)9-3/h1H2,2-3H3
InChIKeyIVLWWALAAPNZFI-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-methylidene-3-propan-2-yloxycyclobut-2-en-1-one
CID 130031216
4-Methoxy-3-methyl-5-methylidenecyclopent-3-ene-1,2-dione
CID 20705467
1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 21712114
2-Methyl-4-methylidene-3-oxocyclobuten-1-olate
CID 23558481
3-Methoxy-4-methylidene-2-propan-2-ylcyclobut-2-en-1-one
CID 118895070
(E)-3-(1-methoxyethenyl)hex-3-en-2-one
CID 123567698
3-Ethylidene-4-methoxyhex-4-en-2-one
CID 123844606
2-Ethenyl-4-ethylidene-3-methoxycyclobut-2-en-1-one
CID 123995231
(3E,5E,7E,8Z,10Z)-7-ethylidene-4-methoxy-5-(2-methylprop-2-enylidene)dodeca-1,3,8,10-tetraen-6-one;methane
CID 143073076
1-(7-Methoxycyclohepta-1,3,4,6-tetraen-1-yl)ethanone
CID 143245098
(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one
CID 143279317
(4Z)-2-ethenyl-4-ethylidene-3-methoxycyclobut-2-en-1-one
CID 153445570

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one (CID 20669374) is 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one is C=C1C(=O)C(C)=C1OC.
What is the InChIKey of 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
The InChIKey is IVLWWALAAPNZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-4-6(8)5(2)7(4)9-3/h1H2,2-3H3.
What are the key properties of 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one?
3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one is sourced from PubChem (CID 20669374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).