1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one

C17H24BrNO — CID 83220400

IUPAC1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC1CCC(C)N1CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-3-16-11-6-13(2)19(16)12-4-5-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyVBRIFTATGPUNQM-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.67
Rot. Bonds6

About 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one

1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 83220400) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
PubChem CID83220400
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC1CCC(C)N1CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-3-16-11-6-13(2)19(16)12-4-5-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyVBRIFTATGPUNQM-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-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-(4-bromophenyl)-4-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 54885784
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
1-(4-bromophenyl)-4-(3,4-dimethylpiperazin-1-yl)butan-1-one
CID 63610961
1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219776
1-[4-(4-bromophenyl)-4-oxobutyl]-4-methylpiperidine-2,6-dione
CID 79497216
1-(4-bromophenyl)-4-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 63567923
1-[4-(4-bromophenyl)-4-oxobutyl]-3-cyclopropylimidazol-2-one
CID 80579906
1-(4-bromophenyl)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114594159
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one (CID 83220400) is 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one is CCC1CCC(C)N1CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is VBRIFTATGPUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-16-11-6-13(2)19(16)12-4-5-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one?
1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 338.29 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 83220400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).