prop-2-enamide iodide

C3H5INO- — CID 19796963

IUPACprop-2-enamide iodide
SMILESC=CC(N)=O.[I-]
InChIInChI=1S/C3H5NO.HI/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H/p-1
InChIKeyASMMZFOAVNBGFH-UHFFFAOYSA-M
MW197.98 g/mol
LogP-3.34
Rot. Bonds1

About prop-2-enamide iodide

prop-2-enamide iodide (PubChem CID 19796963) has the molecular formula C3H5INO- and a molecular weight of 197.98 g/mol. Its IUPAC name is prop-2-enamide iodide.

Molecular Properties

Compound Nameprop-2-enamide iodide
PubChem CID19796963
Molecular FormulaC3H5INO-
Molecular Weight197.98 g/mol
Exact Mass197.94
IUPAC Nameprop-2-enamide iodide
SMILESC=CC(N)=O.[I-]
InChIInChI=1S/C3H5NO.HI/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H/p-1
InChIKeyASMMZFOAVNBGFH-UHFFFAOYSA-M
XLogP-3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.98
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 118976628
CID 118976628
prop-2-enamide;ruthenium
CID 90254548
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
methanamine;prop-2-enamide;hydrate
CID 174696935
ethene-1,1-diol;prop-2-enamide
CID 174658864
acetamide;prop-2-enamide
CID 158566181
phosphoric acid;bis(prop-2-enamide)
CID 175358091
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
benzene;prop-2-enamide;hydrobromide
CID 174943070

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide iodide?
The IUPAC name of prop-2-enamide iodide (CID 19796963) is prop-2-enamide iodide.
What is the SMILES notation for prop-2-enamide iodide?
The canonical SMILES for prop-2-enamide iodide is C=CC(N)=O.[I-].
What is the InChIKey of prop-2-enamide iodide?
The InChIKey is ASMMZFOAVNBGFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NO.HI/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H/p-1.
What are the key properties of prop-2-enamide iodide?
prop-2-enamide iodide has a molecular weight of 197.98 g/mol, XLogP of -3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide iodide is sourced from PubChem (CID 19796963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).