4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one

C13H16N2O2 — CID 112534759

IUPAC4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C13H16N2O2/c14-11-8-13(17)15(9-11)12(16)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyLFLYTHMNYKOVOJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.71
Rot. Bonds3

About 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one

4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one (PubChem CID 112534759) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
PubChem CID112534759
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C13H16N2O2/c14-11-8-13(17)15(9-11)12(16)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyLFLYTHMNYKOVOJ-UHFFFAOYSA-N
XLogP0.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
CID 112534643
4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
CID 112534714
(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
CID 8991301
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one
CID 112534635
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
CID 10492694
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one (CID 112534759) is 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one is NC1CC(=O)N(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The InChIKey is LFLYTHMNYKOVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-11-8-13(17)15(9-11)12(16)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2.
What are the key properties of 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one?
4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 112534759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).