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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Related Compounds

(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one
CID 172723716
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
(4R)-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-2-one
CID 162023012
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
2-[(2-chlorophenyl)methylamino]-4-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869371
2-[(2-chlorophenyl)methylamino]-4-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881846
10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
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4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026

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).