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

C10H12N2 — CID 129060640

IUPAC2-methyl-4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(C)n1
InChIInChI=1S/C10H12N2/c1-8-6-4-5-7-9(2)12-10(3)11-8/h4-7H,1-2H2,3H3,(H,11,12)/b6-4-,7-5-
InChIKeyNGMLDHAONKINRY-PEPZGXQESA-N
MW160.22 g/mol
LogP0.66
Rot. Bonds

About 2-methyl-4,9-dimethylidene-1H-1,3-diazonine

2-methyl-4,9-dimethylidene-1H-1,3-diazonine (PubChem CID 129060640) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-4,9-dimethylidene-1H-1,3-diazonine.

Molecular Properties

Compound Name2-methyl-4,9-dimethylidene-1H-1,3-diazonine
PubChem CID129060640
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-methyl-4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(C)n1
InChIInChI=1S/C10H12N2/c1-8-6-4-5-7-9(2)12-10(3)11-8/h4-7H,1-2H2,3H3,(H,11,12)/b6-4-,7-5-
InChIKeyNGMLDHAONKINRY-PEPZGXQESA-N
XLogP0.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dimethylidene-1H-1,3-diazonine?
The IUPAC name of 2-methyl-4,9-dimethylidene-1H-1,3-diazonine (CID 129060640) is 2-methyl-4,9-dimethylidene-1H-1,3-diazonine.
What is the SMILES notation for 2-methyl-4,9-dimethylidene-1H-1,3-diazonine?
The canonical SMILES for 2-methyl-4,9-dimethylidene-1H-1,3-diazonine is C=c1ccccc(=C)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4,9-dimethylidene-1H-1,3-diazonine?
The InChIKey is NGMLDHAONKINRY-PEPZGXQESA-N. The full InChI is InChI=1S/C10H12N2/c1-8-6-4-5-7-9(2)12-10(3)11-8/h4-7H,1-2H2,3H3,(H,11,12)/b6-4-,7-5-.
What are the key properties of 2-methyl-4,9-dimethylidene-1H-1,3-diazonine?
2-methyl-4,9-dimethylidene-1H-1,3-diazonine has a molecular weight of 160.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,9-dimethylidene-1H-1,3-diazonine is sourced from PubChem (CID 129060640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).