1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one

C12H14Cl2N2O — CID 104727309

IUPAC1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2cc(Cl)c(C)cc2Cl)C1=O
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-9(14)11(6-8(7)13)16-4-3-10(15-2)12(16)17/h5-6,10,15H,3-4H2,1-2H3
InChIKeyXKGNLBFFGJEYBE-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.63
Rot. Bonds2

About 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one

1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 104727309) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID104727309
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2cc(Cl)c(C)cc2Cl)C1=O
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-9(14)11(6-8(7)13)16-4-3-10(15-2)12(16)17/h5-6,10,15H,3-4H2,1-2H3
InChIKeyXKGNLBFFGJEYBE-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one (CID 104727309) is 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2cc(Cl)c(C)cc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is XKGNLBFFGJEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-5-9(14)11(6-8(7)13)16-4-3-10(15-2)12(16)17/h5-6,10,15H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one?
1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 273.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 104727309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).