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

C15H20BrNO — CID 83220282

IUPAC1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyUAGGIGGQUZHPPP-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.89
Rot. Bonds4

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

1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (PubChem CID 83220282) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
PubChem CID83220282
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyUAGGIGGQUZHPPP-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

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219776
1-(2,5-dibromothiophen-3-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220747
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 83219914
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219100
2-[2-(2-bromophenyl)-2-oxoethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513632
(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734433
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
CID 83220400
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (CID 83220282) is 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is CCC1CCC(C)N1CC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The InChIKey is UAGGIGGQUZHPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
1-(2-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-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 83220282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).