ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene

C9H18N2 — CID 144654441

IUPACethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene
SMILESC=CC/C=C\N=N\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-6-7-9-8-4-2;1-2/h3,6-7H,1,4-5H2,2H3;1-2H3/b7-6-,9-8+;
InChIKeyGIYHODDLOHFIOU-FTOWGUJXSA-N
MW154.26 g/mol
LogP3.57
Rot. Bonds4

About ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene

ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene (PubChem CID 144654441) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene.

Molecular Properties

Compound Nameethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene
PubChem CID144654441
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene
SMILESC=CC/C=C\N=N\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-6-7-9-8-4-2;1-2/h3,6-7H,1,4-5H2,2H3;1-2H3/b7-6-,9-8+;
InChIKeyGIYHODDLOHFIOU-FTOWGUJXSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.57
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 ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene?
The IUPAC name of ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene (CID 144654441) is ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene.
What is the SMILES notation for ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene?
The canonical SMILES for ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene is C=CC/C=C\N=N\CC.CC.
What is the InChIKey of ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene?
The InChIKey is GIYHODDLOHFIOU-FTOWGUJXSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-5-6-7-9-8-4-2;1-2/h3,6-7H,1,4-5H2,2H3;1-2H3/b7-6-,9-8+;.
What are the key properties of ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene?
ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene has a molecular weight of 154.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene is sourced from PubChem (CID 144654441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).