[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene

C7H12N2 — CID 118614915

IUPAC[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene
SMILES[H]/N=N/C(CC)=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(3)7(5-2)9-8/h4,8H,1,5H2,2-3H3/b7-6-,9-8+
InChIKeyRABDEGIFBJSTMU-NMMTYZSQSA-N
MW124.19 g/mol
LogP2.89
Rot. Bonds3

About [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene

[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene (PubChem CID 118614915) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene.

Molecular Properties

Compound Name[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene
PubChem CID118614915
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene
SMILES[H]/N=N/C(CC)=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6(3)7(5-2)9-8/h4,8H,1,5H2,2-3H3/b7-6-,9-8+
InChIKeyRABDEGIFBJSTMU-NMMTYZSQSA-N
XLogP2.89
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.89
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 [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene?
The IUPAC name of [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene (CID 118614915) is [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene.
What is the SMILES notation for [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene?
The canonical SMILES for [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene is [H]/N=N/C(CC)=C(/C)C=C.
What is the InChIKey of [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene?
The InChIKey is RABDEGIFBJSTMU-NMMTYZSQSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(3)7(5-2)9-8/h4,8H,1,5H2,2-3H3/b7-6-,9-8+.
What are the key properties of [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene?
[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene has a molecular weight of 124.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4-methylhexa-3,5-dien-3-yl]diazene is sourced from PubChem (CID 118614915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).