2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene

C9H14N2 — CID 90251011

IUPAC2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene
SMILES[H]/N=N/CCC1=CC=C(C)CC1
InChIInChI=1S/C9H14N2/c1-8-2-4-9(5-3-8)6-7-11-10/h2,4,10H,3,5-7H2,1H3/b11-10+
InChIKeyMGDORDLGDHSDOS-ZHACJKMWSA-N
MW150.22 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene

2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene (PubChem CID 90251011) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene
PubChem CID90251011
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene
SMILES[H]/N=N/CCC1=CC=C(C)CC1
InChIInChI=1S/C9H14N2/c1-8-2-4-9(5-3-8)6-7-11-10/h2,4,10H,3,5-7H2,1H3/b11-10+
InChIKeyMGDORDLGDHSDOS-ZHACJKMWSA-N
XLogP3.07
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.07
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 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene?
The IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene (CID 90251011) is 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene.
What is the SMILES notation for 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene?
The canonical SMILES for 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene is [H]/N=N/CCC1=CC=C(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene?
The InChIKey is MGDORDLGDHSDOS-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-2-4-9(5-3-8)6-7-11-10/h2,4,10H,3,5-7H2,1H3/b11-10+.
What are the key properties of 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene?
2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene has a molecular weight of 150.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,3-dien-1-yl)ethyldiazene is sourced from PubChem (CID 90251011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).