(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C15H17BrN2O2 — CID 94010469

IUPAC(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCCC1
InChIInChI=1S/C15H17BrN2O2/c16-12-5-1-2-6-13(12)18-10-7-11(15(18)20)14(19)17-8-3-4-9-17/h1-2,5-6,11H,3-4,7-10H2/t11-/m0/s1
InChIKeyHXNDUKBCTXADFS-NSHDSACASA-N
MW337.22 g/mol
LogP2.42
Rot. Bonds2

About (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 94010469) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID94010469
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCCC1
InChIInChI=1S/C15H17BrN2O2/c16-12-5-1-2-6-13(12)18-10-7-11(15(18)20)14(19)17-8-3-4-9-17/h1-2,5-6,11H,3-4,7-10H2/t11-/m0/s1
InChIKeyHXNDUKBCTXADFS-NSHDSACASA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one 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-(2-bromophenyl)-3-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78887013
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 119412734
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257102
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
(3S)-1-(2-bromophenyl)-3-propanoylpiperidin-2-one
CID 125449248
2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 124703151
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 94010469) is (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCCC1.
What is the InChIKey of (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HXNDUKBCTXADFS-NSHDSACASA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-12-5-1-2-6-13(12)18-10-7-11(15(18)20)14(19)17-8-3-4-9-17/h1-2,5-6,11H,3-4,7-10H2/t11-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 337.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 94010469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).