(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione

C10H9ClN2O2 — CID 98170662

IUPAC(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESNN1C(=O)C[C@@H](c2cccc(Cl)c2)C1=O
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13(12)10(8)15/h1-4,8H,5,12H2/t8-/m0/s1
InChIKeyXZEKJPZKBUAPIX-QMMMGPOBSA-N
MW224.65 g/mol
LogP1.06
Rot. Bonds1

About (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione

(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 98170662) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID98170662
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
SMILESNN1C(=O)C[C@@H](c2cccc(Cl)c2)C1=O
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13(12)10(8)15/h1-4,8H,5,12H2/t8-/m0/s1
InChIKeyXZEKJPZKBUAPIX-QMMMGPOBSA-N
XLogP1.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
CID 101349866
3-(3-chlorophenyl)-1-(4-methyl-2-pyridinyl)pyrrolidine-2,5-dione
CID 3076811
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
(4R,5S)-4-(3-chlorophenyl)-1-ethyl-5-methylpyrrolidin-2-one
CID 70931498
ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049343
2-[3-(3-chlorophenyl)-2,4-dioxoazetidin-1-yl]acetic acid
CID 70623192
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
CID 174623974

Frequently Asked Questions

What is the IUPAC name of (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione (CID 98170662) is (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione is NN1C(=O)C[C@@H](c2cccc(Cl)c2)C1=O.
What is the InChIKey of (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is XZEKJPZKBUAPIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13(12)10(8)15/h1-4,8H,5,12H2/t8-/m0/s1.
What are the key properties of (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione?
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 224.65 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98170662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).