(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one

C11H11Cl2NO2 — CID 134861311

IUPAC(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one
SMILESCO[C@@H]1CCC(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-11-5-4-10(15)14(11)9-3-2-7(12)6-8(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m1/s1
InChIKeyQDYFFTAOUAHXDL-LLVKDONJSA-N
MW260.12 g/mol
LogP3.09
Rot. Bonds2

About (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one

(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one (PubChem CID 134861311) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one
PubChem CID134861311
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one
SMILESCO[C@@H]1CCC(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-11-5-4-10(15)14(11)9-3-2-7(12)6-8(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m1/s1
InChIKeyQDYFFTAOUAHXDL-LLVKDONJSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one?
The IUPAC name of (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one (CID 134861311) is (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one?
The canonical SMILES for (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one is CO[C@@H]1CCC(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one?
The InChIKey is QDYFFTAOUAHXDL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-16-11-5-4-10(15)14(11)9-3-2-7(12)6-8(9)13/h2-3,6,11H,4-5H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one?
(5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one has a molecular weight of 260.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2,4-dichlorophenyl)-5-methoxypyrrolidin-2-one is sourced from PubChem (CID 134861311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).