(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one

C17H23NO2 — CID 67737802

IUPAC(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESCC[C@@H]1CC(C)(C)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-14-12-17(2,3)16(20)18(14)15(19)11-10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-/m1/s1
InChIKeyOLOJCNIHDOXIGO-CQSZACIVSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds4

About (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one

(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one (PubChem CID 67737802) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
PubChem CID67737802
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
SMILESCC[C@@H]1CC(C)(C)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-14-12-17(2,3)16(20)18(14)15(19)11-10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-/m1/s1
InChIKeyOLOJCNIHDOXIGO-CQSZACIVSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-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

Related Compounds

(4S)-4-methyl-3-(3-phenylpropanoyl)-1,3-oxazolidine-2,5-dione
CID 59119731
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801
5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
CID 110191669
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7916332
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
(3aR,7aS)-3-(3-phenylpropanoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 101144665
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one (CID 67737802) is (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one is CC[C@@H]1CC(C)(C)C(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one?
The InChIKey is OLOJCNIHDOXIGO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-14-12-17(2,3)16(20)18(14)15(19)11-10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one?
(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 67737802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).