3,8-dimethylidenediazecine

C10H10N2 — CID 131966621

IUPAC3,8-dimethylidenediazecine
SMILESC=c1ccccc(=C)nncc1
InChIInChI=1S/C10H10N2/c1-9-5-3-4-6-10(2)12-11-8-7-9/h3-8H,1-2H2/b5-3-,6-4-,8-7-,12-11-
InChIKeyZTSPULGATMOGPL-YZEJTTCRSA-N
MW158.20 g/mol
LogP0.42
Rot. Bonds

About 3,8-dimethylidenediazecine

3,8-dimethylidenediazecine (PubChem CID 131966621) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,8-dimethylidenediazecine.

Molecular Properties

Compound Name3,8-dimethylidenediazecine
PubChem CID131966621
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3,8-dimethylidenediazecine
SMILESC=c1ccccc(=C)nncc1
InChIInChI=1S/C10H10N2/c1-9-5-3-4-6-10(2)12-11-8-7-9/h3-8H,1-2H2/b5-3-,6-4-,8-7-,12-11-
InChIKeyZTSPULGATMOGPL-YZEJTTCRSA-N
XLogP0.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylidenediazecine?
The IUPAC name of 3,8-dimethylidenediazecine (CID 131966621) is 3,8-dimethylidenediazecine.
What is the SMILES notation for 3,8-dimethylidenediazecine?
The canonical SMILES for 3,8-dimethylidenediazecine is C=c1ccccc(=C)nncc1.
What is the InChIKey of 3,8-dimethylidenediazecine?
The InChIKey is ZTSPULGATMOGPL-YZEJTTCRSA-N. The full InChI is InChI=1S/C10H10N2/c1-9-5-3-4-6-10(2)12-11-8-7-9/h3-8H,1-2H2/b5-3-,6-4-,8-7-,12-11-.
What are the key properties of 3,8-dimethylidenediazecine?
3,8-dimethylidenediazecine has a molecular weight of 158.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylidenediazecine is sourced from PubChem (CID 131966621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).