methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene

C9H12N2 — CID 130442067

IUPACmethyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
SMILESC/N=N/C1=CC=CC(C)C=C1
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(7-6-8)11-10-2/h3-8H,1-2H3/b11-10+
InChIKeyRZOYLDJGRGGCCL-ZHACJKMWSA-N
MW148.21 g/mol
LogP2.71
Rot. Bonds1

About methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene

methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene (PubChem CID 130442067) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene.

Molecular Properties

Compound Namemethyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
PubChem CID130442067
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Namemethyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
SMILESC/N=N/C1=CC=CC(C)C=C1
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(7-6-8)11-10-2/h3-8H,1-2H3/b11-10+
InChIKeyRZOYLDJGRGGCCL-ZHACJKMWSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
5-Methylcyclohepta-1,3,6-triene-1,3-diamine
CID 68201239
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
[(3E,5Z)-octa-3,5-dien-4-yl]diazene
CID 89030933

Frequently Asked Questions

What is the IUPAC name of methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The IUPAC name of methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene (CID 130442067) is methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene.
What is the SMILES notation for methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The canonical SMILES for methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene is C/N=N/C1=CC=CC(C)C=C1.
What is the InChIKey of methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The InChIKey is RZOYLDJGRGGCCL-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-4-3-5-9(7-6-8)11-10-2/h3-8H,1-2H3/b11-10+.
What are the key properties of methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene has a molecular weight of 148.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methylcyclohepta-1,3,6-trien-1-yl)diazene is sourced from PubChem (CID 130442067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).