(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene

C9H12N2 — CID 130348656

IUPAC(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene
SMILESC=CC1C=CC=CC1/N=N/C
InChIInChI=1S/C9H12N2/c1-3-8-6-4-5-7-9(8)11-10-2/h3-9H,1H2,2H3/b11-10+
InChIKeyLNYVPKOQHHWKEC-ZHACJKMWSA-N
MW148.21 g/mol
LogP2.37
Rot. Bonds2

About (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene

(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene (PubChem CID 130348656) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene.

Molecular Properties

Compound Name(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene
PubChem CID130348656
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene
SMILESC=CC1C=CC=CC1/N=N/C
InChIInChI=1S/C9H12N2/c1-3-8-6-4-5-7-9(8)11-10-2/h3-9H,1H2,2H3/b11-10+
InChIKeyLNYVPKOQHHWKEC-ZHACJKMWSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene?
The IUPAC name of (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene (CID 130348656) is (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene.
What is the SMILES notation for (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene?
The canonical SMILES for (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene is C=CC1C=CC=CC1/N=N/C.
What is the InChIKey of (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene?
The InChIKey is LNYVPKOQHHWKEC-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-6-4-5-7-9(8)11-10-2/h3-9H,1H2,2H3/b11-10+.
What are the key properties of (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene?
(6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene has a molecular weight of 148.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene is sourced from PubChem (CID 130348656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).