(E)-1-diazohex-2-ene

C6H10N2 — CID 135070627

IUPAC(E)-1-diazohex-2-ene
SMILESCCC/C=C/C=[N+]=[N-]
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h4-6H,2-3H2,1H3/b5-4+
InChIKeyKUAJJZPUDNXKEK-SNAWJCMRSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds3

About (E)-1-diazohex-2-ene

(E)-1-diazohex-2-ene (PubChem CID 135070627) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (E)-1-diazohex-2-ene.

Molecular Properties

Compound Name(E)-1-diazohex-2-ene
PubChem CID135070627
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(E)-1-diazohex-2-ene
SMILESCCC/C=C/C=[N+]=[N-]
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h4-6H,2-3H2,1H3/b5-4+
InChIKeyKUAJJZPUDNXKEK-SNAWJCMRSA-N
XLogP1.64
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diazohex-2-ene?
The IUPAC name of (E)-1-diazohex-2-ene (CID 135070627) is (E)-1-diazohex-2-ene.
What is the SMILES notation for (E)-1-diazohex-2-ene?
The canonical SMILES for (E)-1-diazohex-2-ene is CCC/C=C/C=[N+]=[N-].
What is the InChIKey of (E)-1-diazohex-2-ene?
The InChIKey is KUAJJZPUDNXKEK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h4-6H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1-diazohex-2-ene?
(E)-1-diazohex-2-ene has a molecular weight of 110.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diazohex-2-ene is sourced from PubChem (CID 135070627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).