[(E)-1-methoxyprop-1-enyl]diazene

C4H8N2O — CID 163432411

IUPAC[(E)-1-methoxyprop-1-enyl]diazene
SMILES[H]/N=N/C(=C\C)OC
InChIInChI=1S/C4H8N2O/c1-3-4(6-5)7-2/h3,5H,1-2H3/b4-3+,6-5+
InChIKeyARQPNGCIALCSGL-VNKDHWASSA-N
MW100.12 g/mol
LogP1.53
Rot. Bonds2

About [(E)-1-methoxyprop-1-enyl]diazene

[(E)-1-methoxyprop-1-enyl]diazene (PubChem CID 163432411) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is [(E)-1-methoxyprop-1-enyl]diazene.

Molecular Properties

Compound Name[(E)-1-methoxyprop-1-enyl]diazene
PubChem CID163432411
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name[(E)-1-methoxyprop-1-enyl]diazene
SMILES[H]/N=N/C(=C\C)OC
InChIInChI=1S/C4H8N2O/c1-3-4(6-5)7-2/h3,5H,1-2H3/b4-3+,6-5+
InChIKeyARQPNGCIALCSGL-VNKDHWASSA-N
XLogP1.53
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxyprop-1-enyl]diazene?
The IUPAC name of [(E)-1-methoxyprop-1-enyl]diazene (CID 163432411) is [(E)-1-methoxyprop-1-enyl]diazene.
What is the SMILES notation for [(E)-1-methoxyprop-1-enyl]diazene?
The canonical SMILES for [(E)-1-methoxyprop-1-enyl]diazene is [H]/N=N/C(=C\C)OC.
What is the InChIKey of [(E)-1-methoxyprop-1-enyl]diazene?
The InChIKey is ARQPNGCIALCSGL-VNKDHWASSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-4(6-5)7-2/h3,5H,1-2H3/b4-3+,6-5+.
What are the key properties of [(E)-1-methoxyprop-1-enyl]diazene?
[(E)-1-methoxyprop-1-enyl]diazene has a molecular weight of 100.12 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxyprop-1-enyl]diazene is sourced from PubChem (CID 163432411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).