(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one

C13H13NO2 — CID 141255561

IUPAC(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)[C@@H]1C(=O)NCC1c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-11(15)12-10(8-14-13(12)16)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2,(H,14,16)/t10?,12-/m1/s1
InChIKeySPWBYUGNTVVAEG-TVKKRMFBSA-N
MW215.25 g/mol
LogP1.27
Rot. Bonds3

About (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one

(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one (PubChem CID 141255561) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
PubChem CID141255561
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)[C@@H]1C(=O)NCC1c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-11(15)12-10(8-14-13(12)16)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2,(H,14,16)/t10?,12-/m1/s1
InChIKeySPWBYUGNTVVAEG-TVKKRMFBSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-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

(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
CID 69263919
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810390
(3R,4R)-4-(4-tert-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 129452513
(3R,4R)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135748338
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118

Frequently Asked Questions

What is the IUPAC name of (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one (CID 141255561) is (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one is C=CC(=O)[C@@H]1C(=O)NCC1c1ccccc1.
What is the InChIKey of (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The InChIKey is SPWBYUGNTVVAEG-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11(15)12-10(8-14-13(12)16)9-6-4-3-5-7-9/h2-7,10,12H,1,8H2,(H,14,16)/t10?,12-/m1/s1.
What are the key properties of (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 141255561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).