3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one

C14H20N2O — CID 175653672

IUPAC3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N(C)c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-11(2)16-10-9-13(14(16)17)15(3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMNDGDJFSDCNCQW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds3

About 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one

3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 175653672) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one
PubChem CID175653672
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N(C)c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-11(2)16-10-9-13(14(16)17)15(3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMNDGDJFSDCNCQW-UHFFFAOYSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-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-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one (CID 175653672) is 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is MNDGDJFSDCNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)16-10-9-13(14(16)17)15(3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one?
3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 175653672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).