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

C10H9NO3 — CID 3249856

IUPAC1-ethyl-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-2-11-8-6-4-3-5-7(8)9(12)14-10(11)13/h3-6H,2H2,1H3
InChIKeyUHCPCZKBZOSOLC-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds1

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

1-ethyl-3,1-benzoxazine-2,4-dione (PubChem CID 3249856) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-ethyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3,1-benzoxazine-2,4-dione
PubChem CID3249856
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-ethyl-3,1-benzoxazine-2,4-dione
SMILESCCn1c(=O)oc(=O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-2-11-8-6-4-3-5-7(8)9(12)14-10(11)13/h3-6H,2H2,1H3
InChIKeyUHCPCZKBZOSOLC-UHFFFAOYSA-N
XLogP0.97
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
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
Ethyl N-ethylanthranilate
CID 61980
2-(Dimethylamino)benzoic acid
CID 69118
Benzoic acid, 2-((acetylmethyl)amino)-
CID 793024
N-Methylisatoic anhydride
CID 25160
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
2-(4-Methylpiperazin-1-yl)benzoic acid
CID 1120459

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-ethyl-3,1-benzoxazine-2,4-dione (CID 3249856) is 1-ethyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-ethyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-ethyl-3,1-benzoxazine-2,4-dione is CCn1c(=O)oc(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3,1-benzoxazine-2,4-dione?
The InChIKey is UHCPCZKBZOSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-11-8-6-4-3-5-7(8)9(12)14-10(11)13/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-3,1-benzoxazine-2,4-dione?
1-ethyl-3,1-benzoxazine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 3249856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).