3-hydroxyprop-2-enamide;hydrochloride

C3H6ClNO2 — CID 87220592

IUPAC3-hydroxyprop-2-enamide;hydrochloride
SMILESCl.NC(=O)C=CO
InChIInChI=1S/C3H5NO2.ClH/c4-3(6)1-2-5;/h1-2,5H,(H2,4,6);1H
InChIKeyOAADBTQZORIKQJ-UHFFFAOYSA-N
MW123.54 g/mol
LogP-0.03
Rot. Bonds1

About 3-hydroxyprop-2-enamide;hydrochloride

3-hydroxyprop-2-enamide;hydrochloride (PubChem CID 87220592) has the molecular formula C3H6ClNO2 and a molecular weight of 123.54 g/mol. Its IUPAC name is 3-hydroxyprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxyprop-2-enamide;hydrochloride
PubChem CID87220592
Molecular FormulaC3H6ClNO2
Molecular Weight123.54 g/mol
Exact Mass123.01
IUPAC Name3-hydroxyprop-2-enamide;hydrochloride
SMILESCl.NC(=O)C=CO
InChIInChI=1S/C3H5NO2.ClH/c4-3(6)1-2-5;/h1-2,5H,(H2,4,6);1H
InChIKeyOAADBTQZORIKQJ-UHFFFAOYSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.54
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'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 3-hydroxyprop-2-enamide;hydrochloride?
The IUPAC name of 3-hydroxyprop-2-enamide;hydrochloride (CID 87220592) is 3-hydroxyprop-2-enamide;hydrochloride.
What is the SMILES notation for 3-hydroxyprop-2-enamide;hydrochloride?
The canonical SMILES for 3-hydroxyprop-2-enamide;hydrochloride is Cl.NC(=O)C=CO.
What is the InChIKey of 3-hydroxyprop-2-enamide;hydrochloride?
The InChIKey is OAADBTQZORIKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.ClH/c4-3(6)1-2-5;/h1-2,5H,(H2,4,6);1H.
What are the key properties of 3-hydroxyprop-2-enamide;hydrochloride?
3-hydroxyprop-2-enamide;hydrochloride has a molecular weight of 123.54 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyprop-2-enamide;hydrochloride is sourced from PubChem (CID 87220592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).