2-hydroxybut-2-enamide;hydrochloride

C4H8ClNO2 — CID 177282590

IUPAC2-hydroxybut-2-enamide;hydrochloride
SMILESCC=C(O)C(N)=O.Cl
InChIInChI=1S/C4H7NO2.ClH/c1-2-3(6)4(5)7;/h2,6H,1H3,(H2,5,7);1H
InChIKeyQABFHNCOADXEIR-UHFFFAOYSA-N
MW137.57 g/mol
LogP0.36
Rot. Bonds1

About 2-hydroxybut-2-enamide;hydrochloride

2-hydroxybut-2-enamide;hydrochloride (PubChem CID 177282590) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is 2-hydroxybut-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxybut-2-enamide;hydrochloride
PubChem CID177282590
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name2-hydroxybut-2-enamide;hydrochloride
SMILESCC=C(O)C(N)=O.Cl
InChIInChI=1S/C4H7NO2.ClH/c1-2-3(6)4(5)7;/h2,6H,1H3,(H2,5,7);1H
InChIKeyQABFHNCOADXEIR-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.36
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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Related Compounds

(Z)-2-hydroxybut-2-enediamide
CID 142800168
(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
CID 174851391
but-2-en-2-ol;urea
CID 173334764
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
(2Z,4Z)-4-amino-3-hydroxyhexa-2,4-dienamide
CID 135140646
prop-1-ene-1,1-diamine;dihydrochloride
CID 141360869
2-iodobut-2-enamide
CID 174630742
[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate
CID 176652558
N'-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]propanediamide
CID 143768623
tantalum;urea
CID 159758921
(E)-prop-1-en-1-ol;urea
CID 87083567
carbamoyl chloride;carbonochloridic acid
CID 88841427

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybut-2-enamide;hydrochloride?
The IUPAC name of 2-hydroxybut-2-enamide;hydrochloride (CID 177282590) is 2-hydroxybut-2-enamide;hydrochloride.
What is the SMILES notation for 2-hydroxybut-2-enamide;hydrochloride?
The canonical SMILES for 2-hydroxybut-2-enamide;hydrochloride is CC=C(O)C(N)=O.Cl.
What is the InChIKey of 2-hydroxybut-2-enamide;hydrochloride?
The InChIKey is QABFHNCOADXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c1-2-3(6)4(5)7;/h2,6H,1H3,(H2,5,7);1H.
What are the key properties of 2-hydroxybut-2-enamide;hydrochloride?
2-hydroxybut-2-enamide;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybut-2-enamide;hydrochloride is sourced from PubChem (CID 177282590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).