1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione

C14H23N3O2 — CID 54927966

IUPAC1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1CCC(CNC2CC(=O)N(C3CC3)C2=O)C1
InChIInChI=1S/C14H23N3O2/c1-2-16-6-5-10(9-16)8-15-12-7-13(18)17(14(12)19)11-3-4-11/h10-12,15H,2-9H2,1H3
InChIKeyWPTKDGDHJMUWBU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.21
Rot. Bonds5

About 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 54927966) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID54927966
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1CCC(CNC2CC(=O)N(C3CC3)C2=O)C1
InChIInChI=1S/C14H23N3O2/c1-2-16-6-5-10(9-16)8-15-12-7-13(18)17(14(12)19)11-3-4-11/h10-12,15H,2-9H2,1H3
InChIKeyWPTKDGDHJMUWBU-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 54917572
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
1-cyclopropyl-3-(oxolan-3-ylmethylamino)pyrrolidine-2,5-dione
CID 62823457
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
1-cyclopropyl-3-(pentan-3-ylamino)pyrrolidine-2,5-dione
CID 43636111
1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
CID 54934783
1-cyclopropyl-3-(2-ethoxypropylamino)pyrrolidine-2,5-dione
CID 113477226
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
CID 60925606
2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 43636850
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione (CID 54927966) is 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione is CCN1CCC(CNC2CC(=O)N(C3CC3)C2=O)C1.
What is the InChIKey of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is WPTKDGDHJMUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-16-6-5-10(9-16)8-15-12-7-13(18)17(14(12)19)11-3-4-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 265.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 54927966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).