(Z)-2-hydroxy-N-methylbut-2-enamide

C5H9NO2 — CID 139769569

IUPAC(Z)-2-hydroxy-N-methylbut-2-enamide
SMILESC/C=C(\O)C(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-4(7)5(8)6-2/h3,7H,1-2H3,(H,6,8)/b4-3-
InChIKeyBDJHPMRDHDZUSM-ARJAWSKDSA-N
MW115.13 g/mol
LogP0.19
Rot. Bonds1

About (Z)-2-hydroxy-N-methylbut-2-enamide

(Z)-2-hydroxy-N-methylbut-2-enamide (PubChem CID 139769569) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z)-2-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-N-methylbut-2-enamide
PubChem CID139769569
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z)-2-hydroxy-N-methylbut-2-enamide
SMILESC/C=C(\O)C(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-4(7)5(8)6-2/h3,7H,1-2H3,(H,6,8)/b4-3-
InChIKeyBDJHPMRDHDZUSM-ARJAWSKDSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (Z)-2-hydroxy-N-methylbut-2-enamide (CID 139769569) is (Z)-2-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (Z)-2-hydroxy-N-methylbut-2-enamide is C/C=C(\O)C(=O)NC.
What is the InChIKey of (Z)-2-hydroxy-N-methylbut-2-enamide?
The InChIKey is BDJHPMRDHDZUSM-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(7)5(8)6-2/h3,7H,1-2H3,(H,6,8)/b4-3-.
What are the key properties of (Z)-2-hydroxy-N-methylbut-2-enamide?
(Z)-2-hydroxy-N-methylbut-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 139769569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).