5-methyl-2-methylidenepyran-4-one

C7H8O2 — CID 90881741

IUPAC5-methyl-2-methylidenepyran-4-one
SMILESC=C1CC(=O)C(C)=CO1
InChIInChI=1S/C7H8O2/c1-5-4-9-6(2)3-7(5)8/h4H,2-3H2,1H3
InChIKeyHPFDDWOHMBPNOO-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.39
Rot. Bonds

About 5-methyl-2-methylidenepyran-4-one

5-methyl-2-methylidenepyran-4-one (PubChem CID 90881741) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-methyl-2-methylidenepyran-4-one.

Molecular Properties

Compound Name5-methyl-2-methylidenepyran-4-one
PubChem CID90881741
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name5-methyl-2-methylidenepyran-4-one
SMILESC=C1CC(=O)C(C)=CO1
InChIInChI=1S/C7H8O2/c1-5-4-9-6(2)3-7(5)8/h4H,2-3H2,1H3
InChIKeyHPFDDWOHMBPNOO-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidenepyran-4-one?
The IUPAC name of 5-methyl-2-methylidenepyran-4-one (CID 90881741) is 5-methyl-2-methylidenepyran-4-one.
What is the SMILES notation for 5-methyl-2-methylidenepyran-4-one?
The canonical SMILES for 5-methyl-2-methylidenepyran-4-one is C=C1CC(=O)C(C)=CO1.
What is the InChIKey of 5-methyl-2-methylidenepyran-4-one?
The InChIKey is HPFDDWOHMBPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-4-9-6(2)3-7(5)8/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2-methylidenepyran-4-one?
5-methyl-2-methylidenepyran-4-one has a molecular weight of 124.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidenepyran-4-one is sourced from PubChem (CID 90881741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).