5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione

C10H10N2O4 — CID 141240089

IUPAC5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione
SMILESCN(C)c1ccc2oc(=O)c(=O)oc2c1N
InChIInChI=1S/C10H10N2O4/c1-12(2)5-3-4-6-8(7(5)11)16-10(14)9(13)15-6/h3-4H,11H2,1-2H3
InChIKeyRMODPRLELALAPW-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.39
Rot. Bonds1

About 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione

5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione (PubChem CID 141240089) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione.

Molecular Properties

Compound Name5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione
PubChem CID141240089
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione
SMILESCN(C)c1ccc2oc(=O)c(=O)oc2c1N
InChIInChI=1S/C10H10N2O4/c1-12(2)5-3-4-6-8(7(5)11)16-10(14)9(13)15-6/h3-4H,11H2,1-2H3
InChIKeyRMODPRLELALAPW-UHFFFAOYSA-N
XLogP0.39
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione?
The IUPAC name of 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione (CID 141240089) is 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione.
What is the SMILES notation for 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione?
The canonical SMILES for 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione is CN(C)c1ccc2oc(=O)c(=O)oc2c1N.
What is the InChIKey of 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione?
The InChIKey is RMODPRLELALAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-12(2)5-3-4-6-8(7(5)11)16-10(14)9(13)15-6/h3-4H,11H2,1-2H3.
What are the key properties of 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione?
5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione has a molecular weight of 222.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione is sourced from PubChem (CID 141240089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).