3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione

C10H6ClNO3 — CID 150376005

IUPAC3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)=C1O
InChIInChI=1S/C10H6ClNO3/c11-6-3-1-2-5(4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15)
InChIKeyGYSCFUSUVNTULV-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.27
Rot. Bonds1

About 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione

3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 150376005) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID150376005
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)=C1O
InChIInChI=1S/C10H6ClNO3/c11-6-3-1-2-5(4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15)
InChIKeyGYSCFUSUVNTULV-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione (CID 150376005) is 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione is O=C1NC(=O)C(c2cccc(Cl)c2)=C1O.
What is the InChIKey of 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is GYSCFUSUVNTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-6-3-1-2-5(4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15).
What are the key properties of 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione?
3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 223.62 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 150376005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).