azanium;prop-2-enamide;acetate

C5H12N2O3 — CID 172806462

IUPACazanium;prop-2-enamide;acetate
SMILESC=CC(N)=O.CC(=O)[O-].[NH4+]
InChIInChI=1S/C3H5NO.C2H4O2.H3N/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);1H3
InChIKeyROSLSRACPNKZCR-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.21
Rot. Bonds1

About azanium;prop-2-enamide;acetate

azanium;prop-2-enamide;acetate (PubChem CID 172806462) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is azanium;prop-2-enamide;acetate.

Molecular Properties

Compound Nameazanium;prop-2-enamide;acetate
PubChem CID172806462
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Nameazanium;prop-2-enamide;acetate
SMILESC=CC(N)=O.CC(=O)[O-].[NH4+]
InChIInChI=1S/C3H5NO.C2H4O2.H3N/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);1H3
InChIKeyROSLSRACPNKZCR-UHFFFAOYSA-N
XLogP-1.21
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium;prop-2-enamide;acetate
CID 87656488
acetamide;prop-2-enamide
CID 158566181
disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
methanamine;prop-2-enamide;hydrate
CID 174696935
diazanium;prop-1-ene;diacetate
CID 159968490
azanium;urea;acetate
CID 87930546
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
CID 159964007
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952

Frequently Asked Questions

What is the IUPAC name of azanium;prop-2-enamide;acetate?
The IUPAC name of azanium;prop-2-enamide;acetate (CID 172806462) is azanium;prop-2-enamide;acetate.
What is the SMILES notation for azanium;prop-2-enamide;acetate?
The canonical SMILES for azanium;prop-2-enamide;acetate is C=CC(N)=O.CC(=O)[O-].[NH4+].
What is the InChIKey of azanium;prop-2-enamide;acetate?
The InChIKey is ROSLSRACPNKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H4O2.H3N/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);1H3.
What are the key properties of azanium;prop-2-enamide;acetate?
azanium;prop-2-enamide;acetate has a molecular weight of 148.16 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;prop-2-enamide;acetate is sourced from PubChem (CID 172806462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).