1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one

C15H20BrNO4 — CID 15886711

IUPAC1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCOc1cc(Br)c(CCN2C(=O)CCC2(C)O)cc1OC
InChIInChI=1S/C15H20BrNO4/c1-15(19)6-4-14(18)17(15)7-5-10-8-12(20-2)13(21-3)9-11(10)16/h8-9,19H,4-7H2,1-3H3
InChIKeyVLRRWOIGMNQXBK-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one

1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one (PubChem CID 15886711) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one
PubChem CID15886711
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCOc1cc(Br)c(CCN2C(=O)CCC2(C)O)cc1OC
InChIInChI=1S/C15H20BrNO4/c1-15(19)6-4-14(18)17(15)7-5-10-8-12(20-2)13(21-3)9-11(10)16/h8-9,19H,4-7H2,1-3H3
InChIKeyVLRRWOIGMNQXBK-UHFFFAOYSA-N
XLogP2.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-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

3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one
CID 19603657
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
CID 162236502
1-[2-[2-bromo-4-methoxy-5-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 157162623
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354706
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 43033710
8-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxy-6-methyl-6-methylsulfanyl-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one
CID 14887552
2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205744
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304079
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 92734332
(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92696010
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one (CID 15886711) is 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one is COc1cc(Br)c(CCN2C(=O)CCC2(C)O)cc1OC.
What is the InChIKey of 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one?
The InChIKey is VLRRWOIGMNQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-15(19)6-4-14(18)17(15)7-5-10-8-12(20-2)13(21-3)9-11(10)16/h8-9,19H,4-7H2,1-3H3.
What are the key properties of 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one?
1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one has a molecular weight of 358.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 15886711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).