2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

C13H15Cl2NO — CID 116580405

IUPAC2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1
InChIInChI=1S/C13H15Cl2NO/c1-13(6-3-7-16-13)12(17)8-9-10(14)4-2-5-11(9)15/h2,4-5,16H,3,6-8H2,1H3
InChIKeyBNCUAFGDWNAVJZ-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.25
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580405) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580405
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1
InChIInChI=1S/C13H15Cl2NO/c1-13(6-3-7-16-13)12(17)8-9-10(14)4-2-5-11(9)15/h2,4-5,16H,3,6-8H2,1H3
InChIKeyBNCUAFGDWNAVJZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580405) is 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is CC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is BNCUAFGDWNAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-13(6-3-7-16-13)12(17)8-9-10(14)4-2-5-11(9)15/h2,4-5,16H,3,6-8H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 272.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).