6-methyl-2,3-dimethylidenepyran-4-one

C8H8O2 — CID 54010923

IUPAC6-methyl-2,3-dimethylidenepyran-4-one
SMILESC=c1oc(C)cc(=O)c1=C
InChIInChI=1S/C8H8O2/c1-5-4-8(9)6(2)7(3)10-5/h4H,2-3H2,1H3
InChIKeyKSGZYOQHFIYVGV-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.23
Rot. Bonds

About 6-methyl-2,3-dimethylidenepyran-4-one

6-methyl-2,3-dimethylidenepyran-4-one (PubChem CID 54010923) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-methyl-2,3-dimethylidenepyran-4-one.

Molecular Properties

Compound Name6-methyl-2,3-dimethylidenepyran-4-one
PubChem CID54010923
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name6-methyl-2,3-dimethylidenepyran-4-one
SMILESC=c1oc(C)cc(=O)c1=C
InChIInChI=1S/C8H8O2/c1-5-4-8(9)6(2)7(3)10-5/h4H,2-3H2,1H3
InChIKeyKSGZYOQHFIYVGV-UHFFFAOYSA-N
XLogP-0.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3-dimethylidenepyran-4-one with MolForge

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

Launch Full Analysis

Related Compounds

Pyrenocine A
CID 6312351
5-But-2-enoyl-4-methoxy-6-methylpyran-2-one
CID 131296
3-Acetyl-6-methyl-2-oxo-2h-pyran
CID 45085924
Xanthene-1,8(2h)-dione
CID 87091738
4-Ethyl-5-methoxycyclohexa-3,5-diene-1,2-dione
CID 85809821
2-Butoxymethyl quinone
CID 129825612
2-Ethoxymethyl quinone
CID 129825712
Pyrenocine H
CID 156023512
2-methyl-2H-1-benzofuran-4-one
CID 21326096
[1]benzopyran-7(8H)-one
CID 21416084
1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 21712114
(6E)-3,5-dimethoxy-6-(3-methylbutylidene)cyclohexa-2,4-dien-1-one
CID 58835493

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dimethylidenepyran-4-one?
The IUPAC name of 6-methyl-2,3-dimethylidenepyran-4-one (CID 54010923) is 6-methyl-2,3-dimethylidenepyran-4-one.
What is the SMILES notation for 6-methyl-2,3-dimethylidenepyran-4-one?
The canonical SMILES for 6-methyl-2,3-dimethylidenepyran-4-one is C=c1oc(C)cc(=O)c1=C.
What is the InChIKey of 6-methyl-2,3-dimethylidenepyran-4-one?
The InChIKey is KSGZYOQHFIYVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-5-4-8(9)6(2)7(3)10-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dimethylidenepyran-4-one?
6-methyl-2,3-dimethylidenepyran-4-one has a molecular weight of 136.15 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dimethylidenepyran-4-one is sourced from PubChem (CID 54010923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).