1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

C15H20BrNO — CID 83219776

IUPAC1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-3-14-8-7-11(2)17(14)10-15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3
InChIKeyNKJVCVVAVOJGTE-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (PubChem CID 83219776) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
PubChem CID83219776
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-3-14-8-7-11(2)17(14)10-15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3
InChIKeyNKJVCVVAVOJGTE-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219100
1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220282
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
CID 83220400
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (CID 83219776) is 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is CCC1CCC(C)N1CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The InChIKey is NKJVCVVAVOJGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-14-8-7-11(2)17(14)10-15(18)12-5-4-6-13(16)9-12/h4-6,9,11,14H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone has a molecular weight of 310.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 83219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).