4,9-dimethylidene-1H-1,3-diazonine

C9H10N2 — CID 137458796

IUPAC4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]cn1
InChIInChI=1S/C9H10N2/c1-8-5-3-4-6-9(2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b5-3-,6-4-
InChIKeyQGFQMVBASUCSPW-GLIMQPGKSA-N
MW146.19 g/mol
LogP0.35
Rot. Bonds

About 4,9-dimethylidene-1H-1,3-diazonine

4,9-dimethylidene-1H-1,3-diazonine (PubChem CID 137458796) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,9-dimethylidene-1H-1,3-diazonine.

Molecular Properties

Compound Name4,9-dimethylidene-1H-1,3-diazonine
PubChem CID137458796
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]cn1
InChIInChI=1S/C9H10N2/c1-8-5-3-4-6-9(2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b5-3-,6-4-
InChIKeyQGFQMVBASUCSPW-GLIMQPGKSA-N
XLogP0.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,9-dimethylidene-1H-1,3-diazonine 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 4,9-dimethylidene-1H-1,3-diazonine?
The IUPAC name of 4,9-dimethylidene-1H-1,3-diazonine (CID 137458796) is 4,9-dimethylidene-1H-1,3-diazonine.
What is the SMILES notation for 4,9-dimethylidene-1H-1,3-diazonine?
The canonical SMILES for 4,9-dimethylidene-1H-1,3-diazonine is C=c1ccccc(=C)[nH]cn1.
What is the InChIKey of 4,9-dimethylidene-1H-1,3-diazonine?
The InChIKey is QGFQMVBASUCSPW-GLIMQPGKSA-N. The full InChI is InChI=1S/C9H10N2/c1-8-5-3-4-6-9(2)11-7-10-8/h3-7H,1-2H2,(H,10,11)/b5-3-,6-4-.
What are the key properties of 4,9-dimethylidene-1H-1,3-diazonine?
4,9-dimethylidene-1H-1,3-diazonine has a molecular weight of 146.19 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylidene-1H-1,3-diazonine is sourced from PubChem (CID 137458796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).