3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione

C17H19NO4 — CID 90986648

IUPAC3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)C1C(=O)C1CCCO1
InChIInChI=1S/C17H19NO4/c19-15-12(9-8-11-5-2-1-3-6-11)18-17(21)14(15)16(20)13-7-4-10-22-13/h1-3,5-6,12-14H,4,7-10H2,(H,18,21)
InChIKeyDPVNEHLMCNCMQA-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.05
Rot. Bonds5

About 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione

3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione (PubChem CID 90986648) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione
PubChem CID90986648
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)C1C(=O)C1CCCO1
InChIInChI=1S/C17H19NO4/c19-15-12(9-8-11-5-2-1-3-6-11)18-17(21)14(15)16(20)13-7-4-10-22-13/h1-3,5-6,12-14H,4,7-10H2,(H,18,21)
InChIKeyDPVNEHLMCNCMQA-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione 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

(1S,3R,5S,6S,8S,10E,12S,15S,16R,17S)-17-benzyl-6,8,14,15-tetramethyl-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,13-diene-2,19-dione
CID 168272142
(2S,3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyloxolane-2-carboxamide
CID 164633677
(3S,4R)-4-[3-oxo-3-[(S)-tetrahydrofuran-2-yl]propyl]-3-phenylacetamidoazetidin-2-one
CID 53706296
N-[(2R)-2-benzyl-8-hydroxy-1-methoxy-4-oxopentadecan-5-yl]acetamide
CID 58572054
[2-[2-[(2S)-5-tert-butylpyrrolidine-2-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-2-yl]-2-oxoethyl] acetate
CID 69621964
[2-[2-[(2S)-5-methylpyrrolidine-2-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-2-yl]-2-oxoethyl] acetate
CID 69621982
(5S)-5-(2-phenylethyl)-3-(piperidine-2-carbonyl)oxolane-2,4-dione
CID 90752221
(5R)-5-(2-phenylethyl)-3-[(2S)-pyrrolidine-2-carbonyl]oxolane-2,4-dione
CID 90792346
tert-butyl N-[1-[2,4-dioxo-5-(2-phenylethyl)oxolan-3-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 91008710
5-Benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one
CID 91061453
tert-butyl (2S)-2-[(5R)-2,4-dioxo-5-(2-phenylethyl)oxolane-3-carbonyl]pyrrolidine-1-carboxylate
CID 91137559
(5R)-5-(2-phenylethyl)-3-[(2S)-piperidine-2-carbonyl]oxolane-2,4-dione
CID 91266483

Frequently Asked Questions

What is the IUPAC name of 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The IUPAC name of 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione (CID 90986648) is 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The canonical SMILES for 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione is O=C1NC(CCc2ccccc2)C(=O)C1C(=O)C1CCCO1.
What is the InChIKey of 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The InChIKey is DPVNEHLMCNCMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-15-12(9-8-11-5-2-1-3-6-11)18-17(21)14(15)16(20)13-7-4-10-22-13/h1-3,5-6,12-14H,4,7-10H2,(H,18,21).
What are the key properties of 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione?
3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione has a molecular weight of 301.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolane-2-carbonyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 90986648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).