7-methoxy-1H-3,1-benzoxazine-2,4-dione

C9H7NO4 — CID 14381997

IUPAC7-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc2c(=O)oc(=O)[nH]c2c1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12)
InChIKeyXAJRDVIVFVGXNN-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.49
Rot. Bonds1

About 7-methoxy-1H-3,1-benzoxazine-2,4-dione

7-methoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 14381997) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-methoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID14381997
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name7-methoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc2c(=O)oc(=O)[nH]c2c1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12)
InChIKeyXAJRDVIVFVGXNN-UHFFFAOYSA-N
XLogP0.49
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Methoxy-2-(4-methylanilino)benzoic acid
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4-Methoxy-2-(3-methylanilino)benzoic acid
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CID 44531991
4-Methoxy-2-(4-methoxyanilino)benzoic acid
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4-Methoxy-2-(3-methoxyanilino)benzoic acid
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CID 11438059

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-methoxy-1H-3,1-benzoxazine-2,4-dione (CID 14381997) is 7-methoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-methoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-methoxy-1H-3,1-benzoxazine-2,4-dione is COc1ccc2c(=O)oc(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is XAJRDVIVFVGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12).
What are the key properties of 7-methoxy-1H-3,1-benzoxazine-2,4-dione?
7-methoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 14381997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).