6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione

C10H10N2O3 — CID 12715795

IUPAC6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione
SMILESCN(C)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C10H10N2O3/c1-12(2)6-3-4-8-7(5-6)9(13)15-10(14)11-8/h3-5H,1-2H3,(H,11,14)
InChIKeyAXWIAWCOIXYGJJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.55
Rot. Bonds1

About 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione

6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione (PubChem CID 12715795) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione
PubChem CID12715795
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione
SMILESCN(C)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C10H10N2O3/c1-12(2)6-3-4-8-7(5-6)9(13)15-10(14)11-8/h3-5H,1-2H3,(H,11,14)
InChIKeyAXWIAWCOIXYGJJ-UHFFFAOYSA-N
XLogP0.55
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl N-methylanthranilate
CID 6826
Isatoic Anhydride
CID 8359
Methyl n-acetylanthranilate
CID 17623
Methyl n-formylanthranilate
CID 162458
N-Methylisatoic anhydride
CID 25160
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-
CID 20821
Dimethyl 2-acetamidoterephthalate
CID 228014
5-Fluoroisatoic anhydride
CID 288560
Methyl 2-benzamidobenzoate
CID 347181
N-Benzylisatoic anhydride
CID 520756
8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 2759870
N-ethylisatoic anhydride
CID 3249856

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione (CID 12715795) is 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione is CN(C)c1ccc2[nH]c(=O)oc(=O)c2c1.
What is the InChIKey of 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is AXWIAWCOIXYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12(2)6-3-4-8-7(5-6)9(13)15-10(14)11-8/h3-5H,1-2H3,(H,11,14).
What are the key properties of 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione?
6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 206.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 12715795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).