(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione

C16H13ClN2O2 — CID 1076199

IUPAC(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2/t12-/m0/s1
InChIKeyRRYIZPGVIDFVRT-LBPRGKRZSA-N
MW300.75 g/mol
LogP2.86
Rot. Bonds3

About (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione

(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 1076199) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID1076199
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2/t12-/m0/s1
InChIKeyRRYIZPGVIDFVRT-LBPRGKRZSA-N
XLogP2.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione (CID 1076199) is (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione is O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is RRYIZPGVIDFVRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2/t12-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
(3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 300.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1076199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).