3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one

C10H12O2 — CID 142279275

IUPAC3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one
SMILESC=CC1=C(C=C)C(=O)C(C)OC1
InChIInChI=1S/C10H12O2/c1-4-8-6-12-7(3)10(11)9(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyRYYFJRATXXLRHT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.64
Rot. Bonds2

About 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one

3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one (PubChem CID 142279275) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one
PubChem CID142279275
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one
SMILESC=CC1=C(C=C)C(=O)C(C)OC1
InChIInChI=1S/C10H12O2/c1-4-8-6-12-7(3)10(11)9(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyRYYFJRATXXLRHT-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one?
The IUPAC name of 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one (CID 142279275) is 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one?
The canonical SMILES for 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one is C=CC1=C(C=C)C(=O)C(C)OC1.
What is the InChIKey of 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one?
The InChIKey is RYYFJRATXXLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-6-12-7(3)10(11)9(8)5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one?
3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one has a molecular weight of 164.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 142279275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).