ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene

C9H14N2 — CID 130369687

IUPACethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
SMILESC=C/C=C(\N=N\C=C)C(C)C
InChIInChI=1S/C9H14N2/c1-5-7-9(8(3)4)11-10-6-2/h5-8H,1-2H2,3-4H3/b9-7-,11-10+
InChIKeyZSHZVYGDFKKUSF-NKTIYDDZSA-N
MW150.22 g/mol
LogP3.31
Rot. Bonds4

About ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene

ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene (PubChem CID 130369687) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene.

Molecular Properties

Compound Nameethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
PubChem CID130369687
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Nameethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
SMILESC=C/C=C(\N=N\C=C)C(C)C
InChIInChI=1S/C9H14N2/c1-5-7-9(8(3)4)11-10-6-2/h5-8H,1-2H2,3-4H3/b9-7-,11-10+
InChIKeyZSHZVYGDFKKUSF-NKTIYDDZSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.31
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The IUPAC name of ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene (CID 130369687) is ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene.
What is the SMILES notation for ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The canonical SMILES for ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene is C=C/C=C(\N=N\C=C)C(C)C.
What is the InChIKey of ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The InChIKey is ZSHZVYGDFKKUSF-NKTIYDDZSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-7-9(8(3)4)11-10-6-2/h5-8H,1-2H2,3-4H3/b9-7-,11-10+.
What are the key properties of ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene has a molecular weight of 150.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene is sourced from PubChem (CID 130369687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).