(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C14H14Cl2N2O2 — CID 683224

IUPAC(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-4-3-9(7-11(10)16)18-13(19)8-12(14(18)20)17-5-1-2-6-17/h3-4,7,12H,1-2,5-6,8H2/t12-/m0/s1
InChIKeyUKEHKESLAWFLEM-LBPRGKRZSA-N
MW313.18 g/mol
LogP2.72
Rot. Bonds2

About (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 683224) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID683224
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-4-3-9(7-11(10)16)18-13(19)8-12(14(18)20)17-5-1-2-6-17/h3-4,7,12H,1-2,5-6,8H2/t12-/m0/s1
InChIKeyUKEHKESLAWFLEM-LBPRGKRZSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 5184417
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 99935790
1-(3,4-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 4966397
(3R)-1-(3,4-dichlorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085480
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-[3-(azepan-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23100373
1-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51514552
(3R)-1-(3,4-dichlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1014242
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 683224) is (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is O=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is UKEHKESLAWFLEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-4-3-9(7-11(10)16)18-13(19)8-12(14(18)20)17-5-1-2-6-17/h3-4,7,12H,1-2,5-6,8H2/t12-/m0/s1.
What are the key properties of (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 313.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 683224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).