N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide

C12H9NO5 — CID 88798490

IUPACN-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
SMILESCOc1ccc2c(=O)c(NC(=O)C=O)coc2c1
InChIInChI=1S/C12H9NO5/c1-17-7-2-3-8-10(4-7)18-6-9(12(8)16)13-11(15)5-14/h2-6H,1H3,(H,13,15)
InChIKeyMUNBRKGABZVFLO-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.94
Rot. Bonds3

About N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide

N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide (PubChem CID 88798490) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
PubChem CID88798490
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC NameN-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
SMILESCOc1ccc2c(=O)c(NC(=O)C=O)coc2c1
InChIInChI=1S/C12H9NO5/c1-17-7-2-3-8-10(4-7)18-6-9(12(8)16)13-11(15)5-14/h2-6H,1H3,(H,13,15)
InChIKeyMUNBRKGABZVFLO-UHFFFAOYSA-N
XLogP0.94
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enoate
CID 6953675
methyl N-[(E)-(7-methoxy-4-oxochromen-3-yl)methylideneamino]carbamate
CID 177382504
7-methoxy-3-(1,3-oxazol-2-ylamino)chromen-4-one
CID 71482215
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
CID 71657405
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
[(7-methoxy-4-oxochromen-3-yl)methylideneamino]thiourea
CID 936348
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
CID 14844842
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
methyl 2-(6-methoxy-1-benzofuran-3-yl)-3-oxobutanoate
CID 23151510

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide?
The IUPAC name of N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide (CID 88798490) is N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide is COc1ccc2c(=O)c(NC(=O)C=O)coc2c1.
What is the InChIKey of N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide?
The InChIKey is MUNBRKGABZVFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c1-17-7-2-3-8-10(4-7)18-6-9(12(8)16)13-11(15)5-14/h2-6H,1H3,(H,13,15).
What are the key properties of N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide?
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide has a molecular weight of 247.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide is sourced from PubChem (CID 88798490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).