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

C15H19Cl2NO — CID 106976775

IUPAC2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-15(8-4-9-18-15)14(19)10-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3
InChIKeyQSTIWZOYVYTAPP-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.03
Rot. Bonds5

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

2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976775) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976775
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-15(8-4-9-18-15)14(19)10-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3
InChIKeyQSTIWZOYVYTAPP-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976707
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976815
2-(4-bromothiophen-2-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976816
2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976834
1-(2-propylpyrrolidin-2-yl)pent-4-yn-1-one
CID 106976666

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976775) is 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCN1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is QSTIWZOYVYTAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-2-7-15(8-4-9-18-15)14(19)10-11-12(16)5-3-6-13(11)17/h3,5-6,18H,2,4,7-10H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 4.03, 5 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-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).