1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione

C11H10ClNO3 — CID 64787181

IUPAC1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ccc(O)cc2Cl)C1=O
InChIInChI=1S/C11H10ClNO3/c1-6-4-10(15)13(11(6)16)9-3-2-7(14)5-8(9)12/h2-3,5-6,14H,4H2,1H3
InChIKeyHNFNYQASZUXZQW-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.95
Rot. Bonds1

About 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione

1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 64787181) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID64787181
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ccc(O)cc2Cl)C1=O
InChIInChI=1S/C11H10ClNO3/c1-6-4-10(15)13(11(6)16)9-3-2-7(14)5-8(9)12/h2-3,5-6,14H,4H2,1H3
InChIKeyHNFNYQASZUXZQW-UHFFFAOYSA-N
XLogP1.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione (CID 64787181) is 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2ccc(O)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is HNFNYQASZUXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-6-4-10(15)13(11(6)16)9-3-2-7(14)5-8(9)12/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione?
1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 239.66 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 64787181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).