(2-methyl-3-methylidenehexa-1,4-dienyl)diazene

C8H12N2 — CID 123544316

IUPAC(2-methyl-3-methylidenehexa-1,4-dienyl)diazene
SMILES[H]/N=N/C=C(C)C(=C)C=CC
InChIInChI=1S/C8H12N2/c1-4-5-7(2)8(3)6-10-9/h4-6,9H,2H2,1,3H3/b5-4?,8-6?,10-9+
InChIKeyBFRURQPQGFVKFO-XWEMBHETSA-N
MW136.20 g/mol
LogP3.05
Rot. Bonds3

About (2-methyl-3-methylidenehexa-1,4-dienyl)diazene

(2-methyl-3-methylidenehexa-1,4-dienyl)diazene (PubChem CID 123544316) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2-methyl-3-methylidenehexa-1,4-dienyl)diazene.

Molecular Properties

Compound Name(2-methyl-3-methylidenehexa-1,4-dienyl)diazene
PubChem CID123544316
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2-methyl-3-methylidenehexa-1,4-dienyl)diazene
SMILES[H]/N=N/C=C(C)C(=C)C=CC
InChIInChI=1S/C8H12N2/c1-4-5-7(2)8(3)6-10-9/h4-6,9H,2H2,1,3H3/b5-4?,8-6?,10-9+
InChIKeyBFRURQPQGFVKFO-XWEMBHETSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 53.05
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-methylidenehexa-1,4-dienyl)diazene?
The IUPAC name of (2-methyl-3-methylidenehexa-1,4-dienyl)diazene (CID 123544316) is (2-methyl-3-methylidenehexa-1,4-dienyl)diazene.
What is the SMILES notation for (2-methyl-3-methylidenehexa-1,4-dienyl)diazene?
The canonical SMILES for (2-methyl-3-methylidenehexa-1,4-dienyl)diazene is [H]/N=N/C=C(C)C(=C)C=CC.
What is the InChIKey of (2-methyl-3-methylidenehexa-1,4-dienyl)diazene?
The InChIKey is BFRURQPQGFVKFO-XWEMBHETSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-7(2)8(3)6-10-9/h4-6,9H,2H2,1,3H3/b5-4?,8-6?,10-9+.
What are the key properties of (2-methyl-3-methylidenehexa-1,4-dienyl)diazene?
(2-methyl-3-methylidenehexa-1,4-dienyl)diazene has a molecular weight of 136.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-methylidenehexa-1,4-dienyl)diazene is sourced from PubChem (CID 123544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).