4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one

C11H11Cl2NO — CID 22759477

IUPAC4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO/c1-14-6-7(5-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3
InChIKeyBQTYAAFAVWFAPA-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.94
Rot. Bonds1

About 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one

4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one (PubChem CID 22759477) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
PubChem CID22759477
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2c(Cl)cccc2Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO/c1-14-6-7(5-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3
InChIKeyBQTYAAFAVWFAPA-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one (CID 22759477) is 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one is CN1CC(c2c(Cl)cccc2Cl)CC1=O.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one?
The InChIKey is BQTYAAFAVWFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-14-6-7(5-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one?
4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one has a molecular weight of 244.12 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 22759477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).