1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione

C15H12N2O6 — CID 7756897

IUPAC1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCOc1ccc2c(CN3C(=O)C(=O)N(C)C3=O)cc(=O)oc2c1
InChIInChI=1S/C15H12N2O6/c1-16-13(19)14(20)17(15(16)21)7-8-5-12(18)23-11-6-9(22-2)3-4-10(8)11/h3-6H,7H2,1-2H3
InChIKeyHLRQKIQKVFDBEY-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.72
Rot. Bonds3

About 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione

1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 7756897) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID7756897
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCOc1ccc2c(CN3C(=O)C(=O)N(C)C3=O)cc(=O)oc2c1
InChIInChI=1S/C15H12N2O6/c1-16-13(19)14(20)17(15(16)21)7-8-5-12(18)23-11-6-9(22-2)3-4-10(8)11/h3-6H,7H2,1-2H3
InChIKeyHLRQKIQKVFDBEY-UHFFFAOYSA-N
XLogP0.72
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
2-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-nitroisoindole-1,3-dione
CID 4546029
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 42933658
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249
(5R)-5-ethyl-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7179542

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione (CID 7756897) is 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is COc1ccc2c(CN3C(=O)C(=O)N(C)C3=O)cc(=O)oc2c1.
What is the InChIKey of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is HLRQKIQKVFDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-16-13(19)14(20)17(15(16)21)7-8-5-12(18)23-11-6-9(22-2)3-4-10(8)11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione?
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 316.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7756897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).