(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione

C11H10ClNO2 — CID 53466592

IUPAC(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyMAABSLSPCZJVDH-SECBINFHSA-N
MW223.66 g/mol
LogP1.81
Rot. Bonds1

About (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione

(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 53466592) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID53466592
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyMAABSLSPCZJVDH-SECBINFHSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 70971674
3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 70971687
(3R)-3-(4-heptoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 98117431
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
3-(4-chloro-2-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 43411403
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 145007591
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione
CID 81271487
(3S,4S)-3-(4-chlorophenyl)-1-methyl-4-methylsulfanylpyrrolidine-2,5-dione
CID 102012593

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione (CID 53466592) is (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)C[C@H](c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is MAABSLSPCZJVDH-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione?
(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 223.66 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 53466592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).