(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C14H15ClN2O2 — CID 793181

IUPAC(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-3-5-11(8-10)17-13(18)9-12(14(17)19)16-6-1-2-7-16/h3-5,8,12H,1-2,6-7,9H2/t12-/m0/s1
InChIKeyFHDRZFSNTPGTBT-LBPRGKRZSA-N
MW278.74 g/mol
LogP2.07
Rot. Bonds2

About (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 793181) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID793181
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-3-5-11(8-10)17-13(18)9-12(14(17)19)16-6-1-2-7-16/h3-5,8,12H,1-2,6-7,9H2/t12-/m0/s1
InChIKeyFHDRZFSNTPGTBT-LBPRGKRZSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-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

Related Compounds

1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
(3S)-1-(3-chlorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 1258867
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7106893
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 793181) is (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is O=C1C[C@H](N2CCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is FHDRZFSNTPGTBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-4-3-5-11(8-10)17-13(18)9-12(14(17)19)16-6-1-2-7-16/h3-5,8,12H,1-2,6-7,9H2/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 278.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 793181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).