3-ethenyl-4-methoxypyran-2-one

C8H8O3 — CID 134977148

IUPAC3-ethenyl-4-methoxypyran-2-one
SMILESC=Cc1c(OC)ccoc1=O
InChIInChI=1S/C8H8O3/c1-3-6-7(10-2)4-5-11-8(6)9/h3-5H,1H2,2H3
InChIKeyOCZDVYOGKQFVAZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.29
Rot. Bonds2

About 3-ethenyl-4-methoxypyran-2-one

3-ethenyl-4-methoxypyran-2-one (PubChem CID 134977148) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-ethenyl-4-methoxypyran-2-one.

Molecular Properties

Compound Name3-ethenyl-4-methoxypyran-2-one
PubChem CID134977148
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-ethenyl-4-methoxypyran-2-one
SMILESC=Cc1c(OC)ccoc1=O
InChIInChI=1S/C8H8O3/c1-3-6-7(10-2)4-5-11-8(6)9/h3-5H,1H2,2H3
InChIKeyOCZDVYOGKQFVAZ-UHFFFAOYSA-N
XLogP1.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nectriapyrone
CID 5358550
3-methyl-2H-furo(2,3-c)pyran-2-one
CID 11469158
2-ethyl-7-methyl-2H-pyrano[4,3-b]pyran-5-one
CID 44431112
6-But-2-en-2-yl-4-methoxy-3-methylpyran-2-one
CID 185885
2H-pyran-2-one, 4-methyl-
CID 642781
4-methoxy-6-methyl-3-[(E)-pent-1-enyl]pyran-2-one
CID 44323507
6-Ethyl-4-methoxy-3-methylpyran-2-one
CID 10464705
3,7-dimethyl-2H-furo(2,3-c)pyran-2-one
CID 11321142
Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate
CID 539675
Dimethylpyron
CID 13348275
Ethyl 2-methyl-6-oxopyran-3-carboxylate
CID 44245108
Ethyl coumalate
CID 348254

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methoxypyran-2-one?
The IUPAC name of 3-ethenyl-4-methoxypyran-2-one (CID 134977148) is 3-ethenyl-4-methoxypyran-2-one.
What is the SMILES notation for 3-ethenyl-4-methoxypyran-2-one?
The canonical SMILES for 3-ethenyl-4-methoxypyran-2-one is C=Cc1c(OC)ccoc1=O.
What is the InChIKey of 3-ethenyl-4-methoxypyran-2-one?
The InChIKey is OCZDVYOGKQFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-3-6-7(10-2)4-5-11-8(6)9/h3-5H,1H2,2H3.
What are the key properties of 3-ethenyl-4-methoxypyran-2-one?
3-ethenyl-4-methoxypyran-2-one has a molecular weight of 152.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methoxypyran-2-one is sourced from PubChem (CID 134977148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).