1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one

C11H12Cl2N2O — CID 54353900

IUPAC1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-10-4-5-15(11(10)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyUHSTYEUWWABOSL-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.32
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 54353900) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID54353900
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-10-4-5-15(11(10)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyUHSTYEUWWABOSL-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one (CID 54353900) is 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is UHSTYEUWWABOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-14-10-4-5-15(11(10)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 54353900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).