1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione

C18H21N3O2 — CID 138976955

IUPAC1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(N2CCCC2)=C(N2CCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-17-15(19-10-4-5-11-19)16(20-12-6-7-13-20)18(23)21(17)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyNZDQOMOVVNCSLY-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.96
Rot. Bonds3

About 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione

1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 138976955) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID138976955
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(N2CCCC2)=C(N2CCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-17-15(19-10-4-5-11-19)16(20-12-6-7-13-20)18(23)21(17)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyNZDQOMOVVNCSLY-UHFFFAOYSA-N
XLogP1.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-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

3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 779239
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
CID 110561903
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110558664
3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione
CID 731400
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561432
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione (CID 138976955) is 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione is O=C1C(N2CCCC2)=C(N2CCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is NZDQOMOVVNCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-15(19-10-4-5-11-19)16(20-12-6-7-13-20)18(23)21(17)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2.
What are the key properties of 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione?
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 311.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 138976955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).