but-3-enamide

C4H7NO — CID 541483

IUPACbut-3-enamide
SMILESC=CCC(N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)
InChIKeyABBZJHFBQXYTLU-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.05
Rot. Bonds2

About but-3-enamide

but-3-enamide (PubChem CID 541483) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is but-3-enamide.

Molecular Properties

Compound Namebut-3-enamide
PubChem CID541483
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Namebut-3-enamide
SMILESC=CCC(N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)
InChIKeyABBZJHFBQXYTLU-UHFFFAOYSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-enamide
CID 11815293
2-Fluorobut-3-enamide
CID 135027141
(E)-hex-3-enamide
CID 15937545
N-hydroxybut-3-enamide
CID 11804686
4-Oxobut-3-enamide
CID 53773589
3-Pentenamide, (E)-
CID 53856717
N-fluorobut-3-enamide
CID 23039282
4-Fluorobut-3-enamide
CID 53664457
3-Fluorobut-3-enamide
CID 148731670
(3E)-Pent-3-enamide
CID 9812758
(Z)-hex-3-enamide
CID 10057469
2-Methylbut-3-enamide
CID 14143179

Frequently Asked Questions

What is the IUPAC name of but-3-enamide?
The IUPAC name of but-3-enamide (CID 541483) is but-3-enamide.
What is the SMILES notation for but-3-enamide?
The canonical SMILES for but-3-enamide is C=CCC(N)=O.
What is the InChIKey of but-3-enamide?
The InChIKey is ABBZJHFBQXYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6).
What are the key properties of but-3-enamide?
but-3-enamide has a molecular weight of 85.11 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enamide is sourced from PubChem (CID 541483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).