molecular hydrogen;prop-2-enamide

C3H7NO — CID 156651584

IUPACmolecular hydrogen;prop-2-enamide
SMILESC=CC(N)=O.[H][H]
InChIInChI=1S/C3H5NO.H2/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H
InChIKeyVXFNWZDTNIEWPU-UHFFFAOYSA-N
MW73.09 g/mol
LogP-0.10
Rot. Bonds1

About molecular hydrogen;prop-2-enamide

molecular hydrogen;prop-2-enamide (PubChem CID 156651584) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is molecular hydrogen;prop-2-enamide.

Molecular Properties

Compound Namemolecular hydrogen;prop-2-enamide
PubChem CID156651584
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC Namemolecular hydrogen;prop-2-enamide
SMILESC=CC(N)=O.[H][H]
InChIInChI=1S/C3H5NO.H2/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H
InChIKeyVXFNWZDTNIEWPU-UHFFFAOYSA-N
XLogP-0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
CID 175387410
CID 175387410
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
ethene-1,1-diol;prop-2-enamide
CID 174658864
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181
benzene;prop-2-enamide;hydrobromide
CID 174943070
phosphoric acid;bis(prop-2-enamide)
CID 175358091
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;prop-2-enamide?
The IUPAC name of molecular hydrogen;prop-2-enamide (CID 156651584) is molecular hydrogen;prop-2-enamide.
What is the SMILES notation for molecular hydrogen;prop-2-enamide?
The canonical SMILES for molecular hydrogen;prop-2-enamide is C=CC(N)=O.[H][H].
What is the InChIKey of molecular hydrogen;prop-2-enamide?
The InChIKey is VXFNWZDTNIEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H2/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H.
What are the key properties of molecular hydrogen;prop-2-enamide?
molecular hydrogen;prop-2-enamide has a molecular weight of 73.09 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;prop-2-enamide is sourced from PubChem (CID 156651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).