4-methyl-6-(2-methylprop-2-enyl)pyran-2-one

C10H12O2 — CID 134919135

IUPAC4-methyl-6-(2-methylprop-2-enyl)pyran-2-one
SMILESC=C(C)Cc1cc(C)cc(=O)o1
InChIInChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-6H,1,4H2,2-3H3
InChIKeyNCSQFBIXEPQNJP-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.07
Rot. Bonds2

About 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one

4-methyl-6-(2-methylprop-2-enyl)pyran-2-one (PubChem CID 134919135) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-methylprop-2-enyl)pyran-2-one
PubChem CID134919135
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-methyl-6-(2-methylprop-2-enyl)pyran-2-one
SMILESC=C(C)Cc1cc(C)cc(=O)o1
InChIInChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-6H,1,4H2,2-3H3
InChIKeyNCSQFBIXEPQNJP-UHFFFAOYSA-N
XLogP2.07
TPSA30.21 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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ligustilide
CID 5319022
Mesitene lactone
CID 12662
4,6-Dimethyl-5-formylpyran-2-one
CID 95775
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Kava
CID 5281052
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Placidene C
CID 11481458
Anhydrobarakol
CID 14429408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one (CID 134919135) is 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one is C=C(C)Cc1cc(C)cc(=O)o1.
What is the InChIKey of 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one?
The InChIKey is NCSQFBIXEPQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-6H,1,4H2,2-3H3.
What are the key properties of 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one?
4-methyl-6-(2-methylprop-2-enyl)pyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylprop-2-enyl)pyran-2-one is sourced from PubChem (CID 134919135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).