(Z)-2-hydroxyhex-1-ene-1-diazonium

C6H11N2O+ — CID 10701839

IUPAC(Z)-2-hydroxyhex-1-ene-1-diazonium
SMILESCCCC/C(O)=C/[N+]#N
InChIInChI=1S/C6H10N2O/c1-2-3-4-6(9)5-8-7/h5H,2-4H2,1H3/p+1/b6-5-
InChIKeyWLVJVKOAUXIYKW-WAYWQWQTSA-O
MW127.17 g/mol
LogP2.43
Rot. Bonds3

About (Z)-2-hydroxyhex-1-ene-1-diazonium

(Z)-2-hydroxyhex-1-ene-1-diazonium (PubChem CID 10701839) has the molecular formula C6H11N2O+ and a molecular weight of 127.17 g/mol. Its IUPAC name is (Z)-2-hydroxyhex-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-2-hydroxyhex-1-ene-1-diazonium
PubChem CID10701839
Molecular FormulaC6H11N2O+
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name(Z)-2-hydroxyhex-1-ene-1-diazonium
SMILESCCCC/C(O)=C/[N+]#N
InChIInChI=1S/C6H10N2O/c1-2-3-4-6(9)5-8-7/h5H,2-4H2,1H3/p+1/b6-5-
InChIKeyWLVJVKOAUXIYKW-WAYWQWQTSA-O
XLogP2.43
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxyhex-1-ene-1-diazonium?
The IUPAC name of (Z)-2-hydroxyhex-1-ene-1-diazonium (CID 10701839) is (Z)-2-hydroxyhex-1-ene-1-diazonium.
What is the SMILES notation for (Z)-2-hydroxyhex-1-ene-1-diazonium?
The canonical SMILES for (Z)-2-hydroxyhex-1-ene-1-diazonium is CCCC/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-2-hydroxyhex-1-ene-1-diazonium?
The InChIKey is WLVJVKOAUXIYKW-WAYWQWQTSA-O. The full InChI is InChI=1S/C6H10N2O/c1-2-3-4-6(9)5-8-7/h5H,2-4H2,1H3/p+1/b6-5-.
What are the key properties of (Z)-2-hydroxyhex-1-ene-1-diazonium?
(Z)-2-hydroxyhex-1-ene-1-diazonium has a molecular weight of 127.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxyhex-1-ene-1-diazonium is sourced from PubChem (CID 10701839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).