N-hydroxyprop-2-enamide;hydrochloride

C3H6ClNO2 — CID 87262131

IUPACN-hydroxyprop-2-enamide;hydrochloride
SMILESC=CC(=O)NO.Cl
InChIInChI=1S/C3H5NO2.ClH/c1-2-3(5)4-6;/h2,6H,1H2,(H,4,5);1H
InChIKeyPAFSJPQJSJMZKQ-UHFFFAOYSA-N
MW123.54 g/mol
LogP0.10
Rot. Bonds1

About N-hydroxyprop-2-enamide;hydrochloride

N-hydroxyprop-2-enamide;hydrochloride (PubChem CID 87262131) has the molecular formula C3H6ClNO2 and a molecular weight of 123.54 g/mol. Its IUPAC name is N-hydroxyprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxyprop-2-enamide;hydrochloride
PubChem CID87262131
Molecular FormulaC3H6ClNO2
Molecular Weight123.54 g/mol
Exact Mass123.01
IUPAC NameN-hydroxyprop-2-enamide;hydrochloride
SMILESC=CC(=O)NO.Cl
InChIInChI=1S/C3H5NO2.ClH/c1-2-3(5)4-6;/h2,6H,1H2,(H,4,5);1H
InChIKeyPAFSJPQJSJMZKQ-UHFFFAOYSA-N
XLogP0.10
TPSA49.33 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxyprop-2-enamide;hydrochloride?
The IUPAC name of N-hydroxyprop-2-enamide;hydrochloride (CID 87262131) is N-hydroxyprop-2-enamide;hydrochloride.
What is the SMILES notation for N-hydroxyprop-2-enamide;hydrochloride?
The canonical SMILES for N-hydroxyprop-2-enamide;hydrochloride is C=CC(=O)NO.Cl.
What is the InChIKey of N-hydroxyprop-2-enamide;hydrochloride?
The InChIKey is PAFSJPQJSJMZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.ClH/c1-2-3(5)4-6;/h2,6H,1H2,(H,4,5);1H.
What are the key properties of N-hydroxyprop-2-enamide;hydrochloride?
N-hydroxyprop-2-enamide;hydrochloride has a molecular weight of 123.54 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyprop-2-enamide;hydrochloride is sourced from PubChem (CID 87262131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).