2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone

C12H13Cl2NO2 — CID 78765489

IUPAC2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1c(Cl)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-3-5-10(14)12(9)17-8-11(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2
InChIKeyNKGMREZJQVGCSD-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.99
Rot. Bonds3

About 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 78765489) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID78765489
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1c(Cl)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-3-5-10(14)12(9)17-8-11(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2
InChIKeyNKGMREZJQVGCSD-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
2-(2,6-dichlorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 17494249
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055
1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
CID 83052469
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone (CID 78765489) is 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1c(Cl)cccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is NKGMREZJQVGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-4-3-5-10(14)12(9)17-8-11(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2.
What are the key properties of 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone?
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 274.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78765489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).