1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one

C12H13Cl2NO — CID 58733453

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-8-5-6-12(16)15(8)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7H2,1H3
InChIKeyLZKFFJBPTOFGET-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one

1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 58733453) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID58733453
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-8-5-6-12(16)15(8)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7H2,1H3
InChIKeyLZKFFJBPTOFGET-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one (CID 58733453) is 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is LZKFFJBPTOFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-8-5-6-12(16)15(8)7-9-10(13)3-2-4-11(9)14/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one?
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 258.15 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 58733453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).