[(3E)-penta-1,3-dien-3-yl]diazene

C5H8N2 — CID 58165729

IUPAC[(3E)-penta-1,3-dien-3-yl]diazene
SMILES[H]/N=N/C(C=C)=C/C
InChIInChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/b5-4+,7-6+
InChIKeyFSQFEXPARIVWOT-YTXTXJHMSA-N
MW96.13 g/mol
LogP2.11
Rot. Bonds2

About [(3E)-penta-1,3-dien-3-yl]diazene

[(3E)-penta-1,3-dien-3-yl]diazene (PubChem CID 58165729) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is [(3E)-penta-1,3-dien-3-yl]diazene.

Molecular Properties

Compound Name[(3E)-penta-1,3-dien-3-yl]diazene
PubChem CID58165729
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name[(3E)-penta-1,3-dien-3-yl]diazene
SMILES[H]/N=N/C(C=C)=C/C
InChIInChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/b5-4+,7-6+
InChIKeyFSQFEXPARIVWOT-YTXTXJHMSA-N
XLogP2.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 52.11
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 [(3E)-penta-1,3-dien-3-yl]diazene?
The IUPAC name of [(3E)-penta-1,3-dien-3-yl]diazene (CID 58165729) is [(3E)-penta-1,3-dien-3-yl]diazene.
What is the SMILES notation for [(3E)-penta-1,3-dien-3-yl]diazene?
The canonical SMILES for [(3E)-penta-1,3-dien-3-yl]diazene is [H]/N=N/C(C=C)=C/C.
What is the InChIKey of [(3E)-penta-1,3-dien-3-yl]diazene?
The InChIKey is FSQFEXPARIVWOT-YTXTXJHMSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-5(4-2)7-6/h3-4,6H,1H2,2H3/b5-4+,7-6+.
What are the key properties of [(3E)-penta-1,3-dien-3-yl]diazene?
[(3E)-penta-1,3-dien-3-yl]diazene has a molecular weight of 96.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-penta-1,3-dien-3-yl]diazene is sourced from PubChem (CID 58165729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).