(E)-4-hydroxy-N-methylbut-2-enamide

C5H9NO2 — CID 20732816

IUPAC(E)-4-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CO
InChIInChI=1S/C5H9NO2/c1-6-5(8)3-2-4-7/h2-3,7H,4H2,1H3,(H,6,8)/b3-2+
InChIKeyUFWDLGVZHIBTNS-NSCUHMNNSA-N
MW115.13 g/mol
LogP-0.72
Rot. Bonds2

About (E)-4-hydroxy-N-methylbut-2-enamide

(E)-4-hydroxy-N-methylbut-2-enamide (PubChem CID 20732816) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-4-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-hydroxy-N-methylbut-2-enamide
PubChem CID20732816
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-4-hydroxy-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CO
InChIInChI=1S/C5H9NO2/c1-6-5(8)3-2-4-7/h2-3,7H,4H2,1H3,(H,6,8)/b3-2+
InChIKeyUFWDLGVZHIBTNS-NSCUHMNNSA-N
XLogP-0.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (E)-4-hydroxy-N-methylbut-2-enamide (CID 20732816) is (E)-4-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-hydroxy-N-methylbut-2-enamide is CNC(=O)/C=C/CO.
What is the InChIKey of (E)-4-hydroxy-N-methylbut-2-enamide?
The InChIKey is UFWDLGVZHIBTNS-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-5(8)3-2-4-7/h2-3,7H,4H2,1H3,(H,6,8)/b3-2+.
What are the key properties of (E)-4-hydroxy-N-methylbut-2-enamide?
(E)-4-hydroxy-N-methylbut-2-enamide has a molecular weight of 115.13 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 20732816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).