2-hydroxy(114C)but-3-enamide

C4H7NO2 — CID 173186209

IUPAC2-hydroxy(114C)but-3-enamide
SMILESC=CC(O)[14C](N)=O
InChIInChI=1S/C4H7NO2/c1-2-3(6)4(5)7/h2-3,6H,1H2,(H2,5,7)/i4+2
InChIKeyRITCRHZBJRYUKH-DOMIDYPGSA-N
MW103.10 g/mol
LogP-0.98
Rot. Bonds2

About 2-hydroxy(114C)but-3-enamide

2-hydroxy(114C)but-3-enamide (PubChem CID 173186209) has the molecular formula C4H7NO2 and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-hydroxy(114C)but-3-enamide.

Molecular Properties

Compound Name2-hydroxy(114C)but-3-enamide
PubChem CID173186209
Molecular FormulaC4H7NO2
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name2-hydroxy(114C)but-3-enamide
SMILESC=CC(O)[14C](N)=O
InChIInChI=1S/C4H7NO2/c1-2-3(6)4(5)7/h2-3,6H,1H2,(H2,5,7)/i4+2
InChIKeyRITCRHZBJRYUKH-DOMIDYPGSA-N
XLogP-0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy(114C)but-3-enamide?
The IUPAC name of 2-hydroxy(114C)but-3-enamide (CID 173186209) is 2-hydroxy(114C)but-3-enamide.
What is the SMILES notation for 2-hydroxy(114C)but-3-enamide?
The canonical SMILES for 2-hydroxy(114C)but-3-enamide is C=CC(O)[14C](N)=O.
What is the InChIKey of 2-hydroxy(114C)but-3-enamide?
The InChIKey is RITCRHZBJRYUKH-DOMIDYPGSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-3(6)4(5)7/h2-3,6H,1H2,(H2,5,7)/i4+2.
What are the key properties of 2-hydroxy(114C)but-3-enamide?
2-hydroxy(114C)but-3-enamide has a molecular weight of 103.10 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy(114C)but-3-enamide is sourced from PubChem (CID 173186209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).