3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one

C14H20N2O — CID 104591599

IUPAC3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCNC1CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)10-16-9-8-13(15-2)14(16)17/h3-7,11,13,15H,8-10H2,1-2H3
InChIKeyWJSWGYGXIXIGQS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.61
Rot. Bonds4

About 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one

3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one (PubChem CID 104591599) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
PubChem CID104591599
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCNC1CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)10-16-9-8-13(15-2)14(16)17/h3-7,11,13,15H,8-10H2,1-2H3
InChIKeyWJSWGYGXIXIGQS-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
2-hydroxy-3-[3-(methylamino)-2-oxopyrrolidin-1-yl]propanamide
CID 106172651
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
CID 113430281

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one (CID 104591599) is 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one is CNC1CCN(CC(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The InChIKey is WJSWGYGXIXIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)10-16-9-8-13(15-2)14(16)17/h3-7,11,13,15H,8-10H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104591599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).