4-methylchromene-2,7,8-trione

C10H6O4 — CID 15647394

IUPAC4-methylchromene-2,7,8-trione
SMILESCc1cc(=O)oc2c1C=CC(=O)C2=O
InChIInChI=1S/C10H6O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4H,1H3
InChIKeyUNIVBNNWEDTHKT-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.73
Rot. Bonds

About 4-methylchromene-2,7,8-trione

4-methylchromene-2,7,8-trione (PubChem CID 15647394) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-methylchromene-2,7,8-trione.

Molecular Properties

Compound Name4-methylchromene-2,7,8-trione
PubChem CID15647394
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name4-methylchromene-2,7,8-trione
SMILESCc1cc(=O)oc2c1C=CC(=O)C2=O
InChIInChI=1S/C10H6O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4H,1H3
InChIKeyUNIVBNNWEDTHKT-UHFFFAOYSA-N
XLogP0.73
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4,7-dimethylinden-1-one
CID 100998030
4,6,8-trimethylazulene-1,5-dione
CID 15109160
5,6-bis(ethenyl)-4-methylpyran-2-one
CID 134344614
azuleno[8,7-b]furan-2,9-dione
CID 91617324
4-methyl-6-oxopyran-2-carbaldehyde
CID 54194111
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
CID 89064299
CID 89064299

Frequently Asked Questions

What is the IUPAC name of 4-methylchromene-2,7,8-trione?
The IUPAC name of 4-methylchromene-2,7,8-trione (CID 15647394) is 4-methylchromene-2,7,8-trione.
What is the SMILES notation for 4-methylchromene-2,7,8-trione?
The canonical SMILES for 4-methylchromene-2,7,8-trione is Cc1cc(=O)oc2c1C=CC(=O)C2=O.
What is the InChIKey of 4-methylchromene-2,7,8-trione?
The InChIKey is UNIVBNNWEDTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4H,1H3.
What are the key properties of 4-methylchromene-2,7,8-trione?
4-methylchromene-2,7,8-trione has a molecular weight of 190.15 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylchromene-2,7,8-trione is sourced from PubChem (CID 15647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).