4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one

C15H17BrN2O2 — CID 158413019

IUPAC4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one
SMILESCC1(c2ccc(Br)cc2)CC(C2C[C@@H](O)CN2)=NC1=O
InChIInChI=1S/C15H17BrN2O2/c1-15(9-2-4-10(16)5-3-9)7-13(18-14(15)20)12-6-11(19)8-17-12/h2-5,11-12,17,19H,6-8H2,1H3/t11-,12?,15?/m1/s1
InChIKeyJTCRVDYCFIFQMO-XIKARTHZSA-N
MW337.22 g/mol
LogP1.80
Rot. Bonds2

About 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one

4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one (PubChem CID 158413019) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one
PubChem CID158413019
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one
SMILESCC1(c2ccc(Br)cc2)CC(C2C[C@@H](O)CN2)=NC1=O
InChIInChI=1S/C15H17BrN2O2/c1-15(9-2-4-10(16)5-3-9)7-13(18-14(15)20)12-6-11(19)8-17-12/h2-5,11-12,17,19H,6-8H2,1H3/t11-,12?,15?/m1/s1
InChIKeyJTCRVDYCFIFQMO-XIKARTHZSA-N
XLogP1.80
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-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

(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one
CID 157847590
tert-butyl N-[(2S)-1-[(4R)-2-[4-(4-bromophenyl)-4-methyl-5-oxo-3H-pyrrol-2-yl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 158413021
2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
CID 120945906
2-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120945907
tert-butyl (4R)-2-[(4S)-4-(4-bromophenyl)-4-methyl-5-oxo-3H-pyrrol-2-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 157545176
N-[(2S)-1-[(4R)-2-[4-(4-bromophenyl)-4-methyl-5-oxo-3H-pyrrol-2-yl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 157651798
tert-butyl (4R)-2-[4-(4-bromophenyl)-4-methyl-5-oxo-3H-pyrrol-2-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 158413020

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one?
The IUPAC name of 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one (CID 158413019) is 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one?
The canonical SMILES for 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one is CC1(c2ccc(Br)cc2)CC(C2C[C@@H](O)CN2)=NC1=O.
What is the InChIKey of 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one?
The InChIKey is JTCRVDYCFIFQMO-XIKARTHZSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(9-2-4-10(16)5-3-9)7-13(18-14(15)20)12-6-11(19)8-17-12/h2-5,11-12,17,19H,6-8H2,1H3/t11-,12?,15?/m1/s1.
What are the key properties of 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one?
4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one has a molecular weight of 337.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-3H-pyrrol-5-one is sourced from PubChem (CID 158413019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).