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

C9H7NO3 — CID 25160

IUPAC1-methyl-3,1-benzoxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
InChIKeyKJMRWDHBVCNLTQ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.49
Rot. Bonds

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

1-methyl-3,1-benzoxazine-2,4-dione (PubChem CID 25160) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-methyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3,1-benzoxazine-2,4-dione
PubChem CID25160
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1-methyl-3,1-benzoxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
InChIKeyKJMRWDHBVCNLTQ-UHFFFAOYSA-N
XLogP0.49
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl N-methylanthranilate
CID 6826
Isatoic Anhydride
CID 8359
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
Methyl N,N-dimethylanthranilate
CID 82336
2-(Dimethylamino)benzoic acid
CID 69118
Benzoic acid, 2-((acetylmethyl)amino)-
CID 793024
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
2-(N-benzylacetamido)benzoicacid
CID 2311628
6-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
CID 26724
5-Fluoroisatoic anhydride
CID 288560

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-methyl-3,1-benzoxazine-2,4-dione (CID 25160) is 1-methyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-methyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-methyl-3,1-benzoxazine-2,4-dione is Cn1c(=O)oc(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3,1-benzoxazine-2,4-dione?
The InChIKey is KJMRWDHBVCNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3.
What are the key properties of 1-methyl-3,1-benzoxazine-2,4-dione?
1-methyl-3,1-benzoxazine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 25160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).