but-3-en-2-one;N-ethenylacetamide

C8H13NO2 — CID 139410839

IUPACbut-3-en-2-one;N-ethenylacetamide
SMILESC=CC(C)=O.C=CNC(C)=O
InChIInChI=1S/C4H7NO.C4H6O/c1-3-5-4(2)6;1-3-4(2)5/h3H,1H2,2H3,(H,5,6);3H,1H2,2H3
InChIKeyFQZWKDIVVJOCKF-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds2

About but-3-en-2-one;N-ethenylacetamide

but-3-en-2-one;N-ethenylacetamide (PubChem CID 139410839) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is but-3-en-2-one;N-ethenylacetamide.

Molecular Properties

Compound Namebut-3-en-2-one;N-ethenylacetamide
PubChem CID139410839
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namebut-3-en-2-one;N-ethenylacetamide
SMILESC=CC(C)=O.C=CNC(C)=O
InChIInChI=1S/C4H7NO.C4H6O/c1-3-5-4(2)6;1-3-4(2)5/h3H,1H2,2H3,(H,5,6);3H,1H2,2H3
InChIKeyFQZWKDIVVJOCKF-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-en-2-one;N-ethenylacetamide 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

sodium;ethenesulfonate;N-ethenylacetamide
CID 23715190
but-3-en-2-one;hydrochloride
CID 172746503
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide
CID 158320858
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
CID 178170806
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
but-3-en-2-one;ethenoxyethene
CID 174835415
but-3-en-2-one;dimethyl-methylidene-oxo-λ6-sulfane
CID 159903560
but-3-en-2-one;methane;3-methylbut-3-en-2-one
CID 159829669
but-3-en-2-one;3-methylbut-3-en-2-one;prop-1-ene
CID 160787956

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-one;N-ethenylacetamide?
The IUPAC name of but-3-en-2-one;N-ethenylacetamide (CID 139410839) is but-3-en-2-one;N-ethenylacetamide.
What is the SMILES notation for but-3-en-2-one;N-ethenylacetamide?
The canonical SMILES for but-3-en-2-one;N-ethenylacetamide is C=CC(C)=O.C=CNC(C)=O.
What is the InChIKey of but-3-en-2-one;N-ethenylacetamide?
The InChIKey is FQZWKDIVVJOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H6O/c1-3-5-4(2)6;1-3-4(2)5/h3H,1H2,2H3,(H,5,6);3H,1H2,2H3.
What are the key properties of but-3-en-2-one;N-ethenylacetamide?
but-3-en-2-one;N-ethenylacetamide has a molecular weight of 155.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-one;N-ethenylacetamide is sourced from PubChem (CID 139410839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).