1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

C20H21N3O3 — CID 47028446

IUPAC1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2ccc[nH]2)cc1
InChIInChI=1S/C20H21N3O3/c24-18-9-10-19(25)23(18)13-14-5-7-15(8-6-14)20(26)22-12-2-4-17(22)16-3-1-11-21-16/h1,3,5-8,11,17,21H,2,4,9-10,12-13H2
InChIKeyAGOLOCUMPZNNEZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.64
Rot. Bonds4

About 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 47028446) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID47028446
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2ccc[nH]2)cc1
InChIInChI=1S/C20H21N3O3/c24-18-9-10-19(25)23(18)13-14-5-7-15(8-6-14)20(26)22-12-2-4-17(22)16-3-1-11-21-16/h1,3,5-8,11,17,21H,2,4,9-10,12-13H2
InChIKeyAGOLOCUMPZNNEZ-UHFFFAOYSA-N
XLogP2.64
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-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

[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 71924723
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 97025098
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 97002054
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (CID 47028446) is 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCCC2c2ccc[nH]2)cc1.
What is the InChIKey of 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is AGOLOCUMPZNNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-9-10-19(25)23(18)13-14-5-7-15(8-6-14)20(26)22-12-2-4-17(22)16-3-1-11-21-16/h1,3,5-8,11,17,21H,2,4,9-10,12-13H2.
What are the key properties of 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 351.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 47028446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).