(114C)but-3-enamide

C4H7NO — CID 173004196

IUPAC(114C)but-3-enamide
SMILESC=CC[14C](N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)/i4+2
InChIKeyABBZJHFBQXYTLU-DOMIDYPGSA-N
MW87.10 g/mol
LogP0.05
Rot. Bonds2

About (114C)but-3-enamide

(114C)but-3-enamide (PubChem CID 173004196) has the molecular formula C4H7NO and a molecular weight of 87.10 g/mol. Its IUPAC name is (114C)but-3-enamide.

Molecular Properties

Compound Name(114C)but-3-enamide
PubChem CID173004196
Molecular FormulaC4H7NO
Molecular Weight87.10 g/mol
Exact Mass87.06
IUPAC Name(114C)but-3-enamide
SMILESC=CC[14C](N)=O
InChIInChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)/i4+2
InChIKeyABBZJHFBQXYTLU-DOMIDYPGSA-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 ≤ 50087.10
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (114C)but-3-enamide 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

2-hydroxy(114C)but-3-enamide
CID 173186209
prop-2-enylmercury(1+) hydroxide
CID 173459369
buta-1,3-diene;hydrazine
CID 159339609
ethenone;prop-2-en-1-amine
CID 173182769
butane;but-1-ene;ethane;methanamine
CID 145230806
azane;prop-2-en-1-amine;hydrochloride
CID 174769077
prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
butane;bis(but-1-ene)
CID 160596310
but-1-ene;urea
CID 87757370
S-prop-2-enyl 2-hydroxyethanethioate;silver
CID 88846601
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
CID 87403767
2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 155323373

Frequently Asked Questions

What is the IUPAC name of (114C)but-3-enamide?
The IUPAC name of (114C)but-3-enamide (CID 173004196) is (114C)but-3-enamide.
What is the SMILES notation for (114C)but-3-enamide?
The canonical SMILES for (114C)but-3-enamide is C=CC[14C](N)=O.
What is the InChIKey of (114C)but-3-enamide?
The InChIKey is ABBZJHFBQXYTLU-DOMIDYPGSA-N. The full InChI is InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)/i4+2.
What are the key properties of (114C)but-3-enamide?
(114C)but-3-enamide has a molecular weight of 87.10 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 (114C)but-3-enamide is sourced from PubChem (CID 173004196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).