(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium

C4H8N3O+ — CID 6913188

IUPAC(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium
SMILESCC(N)/C(O)=C/[N+]#N
InChIInChI=1S/C4H7N3O/c1-3(5)4(8)2-7-6/h2-3H,5H2,1H3/p+1/b4-2-
InChIKeyOQFMMVBBTPLUAE-RQOWECAXSA-O
MW114.13 g/mol
LogP0.59
Rot. Bonds1

About (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium

(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium (PubChem CID 6913188) has the molecular formula C4H8N3O+ and a molecular weight of 114.13 g/mol. Its IUPAC name is (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium
PubChem CID6913188
Molecular FormulaC4H8N3O+
Molecular Weight114.13 g/mol
Exact Mass114.07
IUPAC Name(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium
SMILESCC(N)/C(O)=C/[N+]#N
InChIInChI=1S/C4H7N3O/c1-3(5)4(8)2-7-6/h2-3H,5H2,1H3/p+1/b4-2-
InChIKeyOQFMMVBBTPLUAE-RQOWECAXSA-O
XLogP0.59
TPSA74.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(1Z)-2-hydroxy-3,4-dimethylpenta-1,4-diene-1-diazonium
CID 11815420
3-amino-2-oxobutanoic acid
CID 19011254
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(E,5R)-5-amino-2-methylhex-3-en-3-ol
CID 163696566
(Z)-2-hydroxyhex-1-ene-1-diazonium
CID 10701839
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
CID 86589108
CID 86589108
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2S)-2-aminopropanoic acid;propane-1,1-diamine
CID 88729324

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium?
The IUPAC name of (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium (CID 6913188) is (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium.
What is the SMILES notation for (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium?
The canonical SMILES for (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium is CC(N)/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium?
The InChIKey is OQFMMVBBTPLUAE-RQOWECAXSA-O. The full InChI is InChI=1S/C4H7N3O/c1-3(5)4(8)2-7-6/h2-3H,5H2,1H3/p+1/b4-2-.
What are the key properties of (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium?
(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium has a molecular weight of 114.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydroxybut-1-ene-1-diazonium is sourced from PubChem (CID 6913188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).