7-methyl-3-methylidenechromene-2,4-dione

C11H8O3 — CID 54426714

IUPAC7-methyl-3-methylidenechromene-2,4-dione
SMILESC=C1C(=O)Oc2cc(C)ccc2C1=O
InChIInChI=1S/C11H8O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5H,2H2,1H3
InChIKeyWEPUVIXBTFCYGS-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.65
Rot. Bonds

About 7-methyl-3-methylidenechromene-2,4-dione

7-methyl-3-methylidenechromene-2,4-dione (PubChem CID 54426714) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 7-methyl-3-methylidenechromene-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-methylidenechromene-2,4-dione
PubChem CID54426714
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name7-methyl-3-methylidenechromene-2,4-dione
SMILESC=C1C(=O)Oc2cc(C)ccc2C1=O
InChIInChI=1S/C11H8O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5H,2H2,1H3
InChIKeyWEPUVIXBTFCYGS-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-benzofuran-2,3-dione
CID 14737142
3-methylidenebenzo[g]chromene-2,4-dione
CID 21301843
5-methyl-1-benzofuran-2,3-dione
CID 56974146
cyclohexane;5-methyl-2-benzofuran-1,3-dione
CID 88623758
4-[(Z)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 157475625
7-methyl-9-methylidenefluorene-2-sulfonic acid
CID 130287289
2,2,6-trimethyl-1-benzofuran-3-one
CID 14470623
3,5-dimethyl-2-methylidene-3H-inden-1-one
CID 130031161
(2Z)-6-(dimethylamino)-2-[6-(dimethylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one
CID 22121340
9-hydroxy-3-methyl-7H-benzo[d][1]benzoxepin-6-one
CID 167642171
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 92981910

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidenechromene-2,4-dione?
The IUPAC name of 7-methyl-3-methylidenechromene-2,4-dione (CID 54426714) is 7-methyl-3-methylidenechromene-2,4-dione.
What is the SMILES notation for 7-methyl-3-methylidenechromene-2,4-dione?
The canonical SMILES for 7-methyl-3-methylidenechromene-2,4-dione is C=C1C(=O)Oc2cc(C)ccc2C1=O.
What is the InChIKey of 7-methyl-3-methylidenechromene-2,4-dione?
The InChIKey is WEPUVIXBTFCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5H,2H2,1H3.
What are the key properties of 7-methyl-3-methylidenechromene-2,4-dione?
7-methyl-3-methylidenechromene-2,4-dione has a molecular weight of 188.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidenechromene-2,4-dione is sourced from PubChem (CID 54426714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).