1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone

C12H16N2O6 — CID 23038057

IUPAC1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone
SMILESO=C1CCCCCCCCOO/N=N/C(=O)C(=O)C1=O
InChIInChI=1S/C12H16N2O6/c15-9-7-5-3-1-2-4-6-8-19-20-14-13-12(18)11(17)10(9)16/h1-8H2/b14-13+
InChIKeyXFAVOMRWJDQVBM-BUHFOSPRSA-N
MW284.27 g/mol
LogP1.28
Rot. Bonds

About 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone

1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone (PubChem CID 23038057) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone.

Molecular Properties

Compound Name1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone
PubChem CID23038057
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone
SMILESO=C1CCCCCCCCOO/N=N/C(=O)C(=O)C1=O
InChIInChI=1S/C12H16N2O6/c15-9-7-5-3-1-2-4-6-8-19-20-14-13-12(18)11(17)10(9)16/h1-8H2/b14-13+
InChIKeyXFAVOMRWJDQVBM-BUHFOSPRSA-N
XLogP1.28
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone?
The IUPAC name of 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone (CID 23038057) is 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone.
What is the SMILES notation for 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone?
The canonical SMILES for 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone is O=C1CCCCCCCCOO/N=N/C(=O)C(=O)C1=O.
What is the InChIKey of 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone?
The InChIKey is XFAVOMRWJDQVBM-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2O6/c15-9-7-5-3-1-2-4-6-8-19-20-14-13-12(18)11(17)10(9)16/h1-8H2/b14-13+.
What are the key properties of 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone?
1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone has a molecular weight of 284.27 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxa-3,4-diazacyclohexadec-3-ene-5,6,7,8-tetrone is sourced from PubChem (CID 23038057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).