diazanium;prop-1-ene;diacetate

C7H20N2O4 — CID 159968490

IUPACdiazanium;prop-1-ene;diacetate
SMILESC=CC.CC(=O)[O-].CC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H6.2C2H4O2.2H3N/c1-3-2;2*1-2(3)4;;/h3H,1H2,2H3;2*1H3,(H,3,4);2*1H3
InChIKeyOEFXQQWTBWNADU-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.54
Rot. Bonds

About diazanium;prop-1-ene;diacetate

diazanium;prop-1-ene;diacetate (PubChem CID 159968490) has the molecular formula C7H20N2O4 and a molecular weight of 196.25 g/mol. Its IUPAC name is diazanium;prop-1-ene;diacetate.

Molecular Properties

Compound Namediazanium;prop-1-ene;diacetate
PubChem CID159968490
Molecular FormulaC7H20N2O4
Molecular Weight196.25 g/mol
Exact Mass196.14
IUPAC Namediazanium;prop-1-ene;diacetate
SMILESC=CC.CC(=O)[O-].CC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H6.2C2H4O2.2H3N/c1-3-2;2*1-2(3)4;;/h3H,1H2,2H3;2*1H3,(H,3,4);2*1H3
InChIKeyOEFXQQWTBWNADU-UHFFFAOYSA-N
XLogP-0.54
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze diazanium;prop-1-ene;diacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;prop-1-ene;carbonate
CID 174861808
azanium;prop-2-enamide;acetate
CID 172806462
azanium;cerium(4+);pentaacetate
CID 172759983
azanium;titanium;acetate
CID 173299620
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate
CID 157292140
acetic acid;carbonic acid;prop-1-ene
CID 87718804
ethanethioic S-acid;prop-1-ene
CID 174856563
azanium;nickel;acetate;hydroxide
CID 174923833
pentasodium;ethene;pentaacetate
CID 172708449
benzene;propan-2-one;prop-1-ene
CID 90994194
diazanium;acetate;formate;hydrate
CID 141398927
propane;propan-2-one;prop-1-ene
CID 160807834

Frequently Asked Questions

What is the IUPAC name of diazanium;prop-1-ene;diacetate?
The IUPAC name of diazanium;prop-1-ene;diacetate (CID 159968490) is diazanium;prop-1-ene;diacetate.
What is the SMILES notation for diazanium;prop-1-ene;diacetate?
The canonical SMILES for diazanium;prop-1-ene;diacetate is C=CC.CC(=O)[O-].CC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;prop-1-ene;diacetate?
The InChIKey is OEFXQQWTBWNADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.2C2H4O2.2H3N/c1-3-2;2*1-2(3)4;;/h3H,1H2,2H3;2*1H3,(H,3,4);2*1H3.
What are the key properties of diazanium;prop-1-ene;diacetate?
diazanium;prop-1-ene;diacetate has a molecular weight of 196.25 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;prop-1-ene;diacetate is sourced from PubChem (CID 159968490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).