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

C15H22N2O — CID 104591603

IUPAC3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCCNC1CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-3-16-14-9-10-17(15(14)18)11-12(2)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyLBWFHYWUBAGZQB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds5

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

3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one (PubChem CID 104591603) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
PubChem CID104591603
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCCNC1CCN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-3-16-14-9-10-17(15(14)18)11-12(2)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyLBWFHYWUBAGZQB-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
3-(ethylamino)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 62054329
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
3-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
CID 115366236
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
CID 54973377

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one (CID 104591603) is 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one is CCNC1CCN(CC(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
The InChIKey is LBWFHYWUBAGZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-16-14-9-10-17(15(14)18)11-12(2)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one?
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).