2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium

C5H10N3O+ — CID 163719200

IUPAC2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium
SMILESC=C/C(N)=N\C=C[NH2+]O
InChIInChI=1S/C5H9N3O/c1-2-5(6)7-3-4-8-9/h2-4,8-9H,1H2,(H2,6,7)/p+1
InChIKeyKQAUKXGVTPMYAZ-UHFFFAOYSA-O
MW128.15 g/mol
LogP-1.05
Rot. Bonds3

About 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium

2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium (PubChem CID 163719200) has the molecular formula C5H10N3O+ and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium.

Molecular Properties

Compound Name2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium
PubChem CID163719200
Molecular FormulaC5H10N3O+
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium
SMILESC=C/C(N)=N\C=C[NH2+]O
InChIInChI=1S/C5H9N3O/c1-2-5(6)7-3-4-8-9/h2-4,8-9H,1H2,(H2,6,7)/p+1
InChIKeyKQAUKXGVTPMYAZ-UHFFFAOYSA-O
XLogP-1.05
TPSA75.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium?
The IUPAC name of 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium (CID 163719200) is 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium.
What is the SMILES notation for 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium?
The canonical SMILES for 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium is C=C/C(N)=N\C=C[NH2+]O.
What is the InChIKey of 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium?
The InChIKey is KQAUKXGVTPMYAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9N3O/c1-2-5(6)7-3-4-8-9/h2-4,8-9H,1H2,(H2,6,7)/p+1.
What are the key properties of 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium?
2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium has a molecular weight of 128.15 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enylideneamino)ethenyl-hydroxyazanium is sourced from PubChem (CID 163719200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).