1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid

C10H7NO5 — CID 130298853

IUPAC1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid
SMILESCn1c(=O)oc(=O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H7NO5/c1-11-7-4-5(8(12)13)2-3-6(7)9(14)16-10(11)15/h2-4H,1H3,(H,12,13)
InChIKeyNVEYHHPSSLRNJN-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.19
Rot. Bonds1

About 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid

1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid (PubChem CID 130298853) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid
PubChem CID130298853
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid
SMILESCn1c(=O)oc(=O)c2ccc(C(=O)O)cc21
InChIInChI=1S/C10H7NO5/c1-11-7-4-5(8(12)13)2-3-6(7)9(14)16-10(11)15/h2-4H,1H3,(H,12,13)
InChIKeyNVEYHHPSSLRNJN-UHFFFAOYSA-N
XLogP0.19
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-1-methyl-3,1-benzoxazine-2,4-dione
CID 59492146
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
3-nonyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062882
3-methyl-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110683258
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
1-methyl-2,4-dioxothieno[2,3-d][1,3]oxazine-6-carboxylic acid
CID 96602950
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
2-amino-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116920547
1,2-dimethyl-3-(methylaminomethyl)indole-6-carboxylic acid
CID 68901983
1-oxo-3-phenylisochromene-6-carboxylic acid
CID 17015150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid?
The IUPAC name of 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid (CID 130298853) is 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid?
The canonical SMILES for 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid is Cn1c(=O)oc(=O)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid?
The InChIKey is NVEYHHPSSLRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c1-11-7-4-5(8(12)13)2-3-6(7)9(14)16-10(11)15/h2-4H,1H3,(H,12,13).
What are the key properties of 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid?
1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid is sourced from PubChem (CID 130298853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).