(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one

C11H13ClN2O — CID 94236892

IUPAC(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H13ClN2O/c1-13-10-5-6-14(11(10)15)9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1
InChIKeyMKJINEGOOHIXBZ-SNVBAGLBSA-N
MW224.69 g/mol
LogP1.66
Rot. Bonds2

About (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one

(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 94236892) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID94236892
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H13ClN2O/c1-13-10-5-6-14(11(10)15)9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1
InChIKeyMKJINEGOOHIXBZ-SNVBAGLBSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one (CID 94236892) is (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one is CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is MKJINEGOOHIXBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-13-10-5-6-14(11(10)15)9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one?
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 94236892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).