1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione

C15H13NO5 — CID 7819577

IUPAC1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(CN3C(=O)CCC3=O)cc(=O)oc2c1
InChIInChI=1S/C15H13NO5/c1-20-10-2-3-11-9(6-15(19)21-12(11)7-10)8-16-13(17)4-5-14(16)18/h2-3,6-7H,4-5,8H2,1H3
InChIKeySAOOTRHYIZTBIR-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.45
Rot. Bonds3

About 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione

1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 7819577) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID7819577
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(CN3C(=O)CCC3=O)cc(=O)oc2c1
InChIInChI=1S/C15H13NO5/c1-20-10-2-3-11-9(6-15(19)21-12(11)7-10)8-16-13(17)4-5-14(16)18/h2-3,6-7H,4-5,8H2,1H3
InChIKeySAOOTRHYIZTBIR-UHFFFAOYSA-N
XLogP1.45
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
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
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
(4S)-3'-[(7-methoxy-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771802
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione (CID 7819577) is 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(CN3C(=O)CCC3=O)cc(=O)oc2c1.
What is the InChIKey of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is SAOOTRHYIZTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-10-2-3-11-9(6-15(19)21-12(11)7-10)8-16-13(17)4-5-14(16)18/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione?
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 287.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7819577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).