3-methylpyrrole-2,5-dione;hydrochloride

C5H6ClNO2 — CID 69404545

IUPAC3-methylpyrrole-2,5-dione;hydrochloride
SMILESCC1=CC(=O)NC1=O.Cl
InChIInChI=1S/C5H5NO2.ClH/c1-3-2-4(7)6-5(3)8;/h2H,1H3,(H,6,7,8);1H
InChIKeyRMBXSDLTWYJNHT-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.01
Rot. Bonds

About 3-methylpyrrole-2,5-dione;hydrochloride

3-methylpyrrole-2,5-dione;hydrochloride (PubChem CID 69404545) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 3-methylpyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-methylpyrrole-2,5-dione;hydrochloride
PubChem CID69404545
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name3-methylpyrrole-2,5-dione;hydrochloride
SMILESCC1=CC(=O)NC1=O.Cl
InChIInChI=1S/C5H5NO2.ClH/c1-3-2-4(7)6-5(3)8;/h2H,1H3,(H,6,7,8);1H
InChIKeyRMBXSDLTWYJNHT-UHFFFAOYSA-N
XLogP0.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrole-2,5-dione;hydrochloride?
The IUPAC name of 3-methylpyrrole-2,5-dione;hydrochloride (CID 69404545) is 3-methylpyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 3-methylpyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 3-methylpyrrole-2,5-dione;hydrochloride is CC1=CC(=O)NC1=O.Cl.
What is the InChIKey of 3-methylpyrrole-2,5-dione;hydrochloride?
The InChIKey is RMBXSDLTWYJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.ClH/c1-3-2-4(7)6-5(3)8;/h2H,1H3,(H,6,7,8);1H.
What are the key properties of 3-methylpyrrole-2,5-dione;hydrochloride?
3-methylpyrrole-2,5-dione;hydrochloride has a molecular weight of 147.56 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 69404545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).