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

C8H5NO3 — CID 8359

IUPAC1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)o1
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKeyTXJUTRJFNRYTHH-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.48
Rot. Bonds

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

1H-3,1-benzoxazine-2,4-dione (PubChem CID 8359) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1H-3,1-benzoxazine-2,4-dione
PubChem CID8359
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)o1
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKeyTXJUTRJFNRYTHH-UHFFFAOYSA-N
XLogP0.48
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-methylanthranilate
CID 6826
N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
2-(Benzoylamino)benzoic acid
CID 68482
Methyl n-acetylanthranilate
CID 17623
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
N-Benzoylanthranilate
CID 5091716
Ethyl N-ethylanthranilate
CID 61980
Isobutyl N-methylanthranilate
CID 522171

Frequently Asked Questions

What is the IUPAC name of 1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1H-3,1-benzoxazine-2,4-dione (CID 8359) is 1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2ccccc2c(=O)o1.
What is the InChIKey of 1H-3,1-benzoxazine-2,4-dione?
The InChIKey is TXJUTRJFNRYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11).
What are the key properties of 1H-3,1-benzoxazine-2,4-dione?
1H-3,1-benzoxazine-2,4-dione has a molecular weight of 163.13 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 8359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).