(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene

C8H12N2 — CID 123257798

IUPAC(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene
SMILES[H]/N=N/CC1=CCC(C)C=C1
InChIInChI=1S/C8H12N2/c1-7-2-4-8(5-3-7)6-10-9/h2,4-5,7,9H,3,6H2,1H3/b10-9+
InChIKeyTUPIPCSJKYZCAW-MDZDMXLPSA-N
MW136.20 g/mol
LogP2.54
Rot. Bonds2

About (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene

(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene (PubChem CID 123257798) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene.

Molecular Properties

Compound Name(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene
PubChem CID123257798
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene
SMILES[H]/N=N/CC1=CCC(C)C=C1
InChIInChI=1S/C8H12N2/c1-7-2-4-8(5-3-7)6-10-9/h2,4-5,7,9H,3,6H2,1H3/b10-9+
InChIKeyTUPIPCSJKYZCAW-MDZDMXLPSA-N
XLogP2.54
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene?
The IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene (CID 123257798) is (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene.
What is the SMILES notation for (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene?
The canonical SMILES for (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene is [H]/N=N/CC1=CCC(C)C=C1.
What is the InChIKey of (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene?
The InChIKey is TUPIPCSJKYZCAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-2-4-8(5-3-7)6-10-9/h2,4-5,7,9H,3,6H2,1H3/b10-9+.
What are the key properties of (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene?
(4-methylcyclohexa-1,5-dien-1-yl)methyldiazene has a molecular weight of 136.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,5-dien-1-yl)methyldiazene is sourced from PubChem (CID 123257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).