3-(methylamino)-1-phenylmethoxypyrrolidin-2-one

C12H16N2O2 — CID 69151134

IUPAC3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
SMILESCNC1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C12H16N2O2/c1-13-11-7-8-14(12(11)15)16-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyOSXJZELMBTUBFL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.94
Rot. Bonds4

About 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one

3-(methylamino)-1-phenylmethoxypyrrolidin-2-one (PubChem CID 69151134) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
PubChem CID69151134
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
SMILESCNC1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C12H16N2O2/c1-13-11-7-8-14(12(11)15)16-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyOSXJZELMBTUBFL-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one (CID 69151134) is 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one is CNC1CCN(OCc2ccccc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is OSXJZELMBTUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-11-7-8-14(12(11)15)16-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one?
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 69151134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).