prop-2-enoic acid;hydrochloride

C3H5ClO2 — CID 22354205

IUPACprop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.Cl
InChIInChI=1S/C3H4O2.ClH/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H
InChIKeyNPSSWQJHYLDCNV-UHFFFAOYSA-N
MW108.52 g/mol
LogP0.68
Rot. Bonds1

About prop-2-enoic acid;hydrochloride

prop-2-enoic acid;hydrochloride (PubChem CID 22354205) has the molecular formula C3H5ClO2 and a molecular weight of 108.52 g/mol. Its IUPAC name is prop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Nameprop-2-enoic acid;hydrochloride
PubChem CID22354205
Molecular FormulaC3H5ClO2
Molecular Weight108.52 g/mol
Exact Mass108.00
IUPAC Nameprop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.Cl
InChIInChI=1S/C3H4O2.ClH/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H
InChIKeyNPSSWQJHYLDCNV-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.52
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 prop-2-enoic acid;hydrochloride?
The IUPAC name of prop-2-enoic acid;hydrochloride (CID 22354205) is prop-2-enoic acid;hydrochloride.
What is the SMILES notation for prop-2-enoic acid;hydrochloride?
The canonical SMILES for prop-2-enoic acid;hydrochloride is C=CC(=O)O.Cl.
What is the InChIKey of prop-2-enoic acid;hydrochloride?
The InChIKey is NPSSWQJHYLDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.ClH/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H.
What are the key properties of prop-2-enoic acid;hydrochloride?
prop-2-enoic acid;hydrochloride has a molecular weight of 108.52 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 22354205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).