acetamide;prop-2-enamide

C9H20N4O4 — CID 158566181

IUPACacetamide;prop-2-enamide
SMILESC=CC(N)=O.CC(N)=O.CC(N)=O.CC(N)=O
InChIInChI=1S/C3H5NO.3C2H5NO/c1-2-3(4)5;3*1-2(3)4/h2H,1H2,(H2,4,5);3*1H3,(H2,3,4)
InChIKeyHRMTZHFHKDXZLO-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.87
Rot. Bonds1

About acetamide;prop-2-enamide

acetamide;prop-2-enamide (PubChem CID 158566181) has the molecular formula C9H20N4O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is acetamide;prop-2-enamide.

Molecular Properties

Compound Nameacetamide;prop-2-enamide
PubChem CID158566181
Molecular FormulaC9H20N4O4
Molecular Weight248.28 g/mol
Exact Mass248.15
IUPAC Nameacetamide;prop-2-enamide
SMILESC=CC(N)=O.CC(N)=O.CC(N)=O.CC(N)=O
InChIInChI=1S/C3H5NO.3C2H5NO/c1-2-3(4)5;3*1-2(3)4/h2H,1H2,(H2,4,5);3*1H3,(H2,3,4)
InChIKeyHRMTZHFHKDXZLO-UHFFFAOYSA-N
XLogP-1.87
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanamine;prop-2-enamide;hydrate
CID 174696935
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
azanium;prop-2-enamide;acetate
CID 172806462
sodium;prop-2-enamide;acetate
CID 87656488
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
CID 172708986
CID 172708986
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332

Frequently Asked Questions

What is the IUPAC name of acetamide;prop-2-enamide?
The IUPAC name of acetamide;prop-2-enamide (CID 158566181) is acetamide;prop-2-enamide.
What is the SMILES notation for acetamide;prop-2-enamide?
The canonical SMILES for acetamide;prop-2-enamide is C=CC(N)=O.CC(N)=O.CC(N)=O.CC(N)=O.
What is the InChIKey of acetamide;prop-2-enamide?
The InChIKey is HRMTZHFHKDXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.3C2H5NO/c1-2-3(4)5;3*1-2(3)4/h2H,1H2,(H2,4,5);3*1H3,(H2,3,4).
What are the key properties of acetamide;prop-2-enamide?
acetamide;prop-2-enamide has a molecular weight of 248.28 g/mol, XLogP of -1.87, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;prop-2-enamide is sourced from PubChem (CID 158566181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).