3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione

C13H23N3O2 — CID 54926953

IUPAC3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCN(C)C2)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-5-16-12(17)7-11(13(16)18)14-8-10-4-6-15(2)9-10/h10-11,14H,3-9H2,1-2H3
InChIKeyANPJIYWJTPXYKF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds5

About 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione

3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 54926953) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID54926953
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCN(C)C2)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-5-16-12(17)7-11(13(16)18)14-8-10-4-6-15(2)9-10/h10-11,14H,3-9H2,1-2H3
InChIKeyANPJIYWJTPXYKF-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
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

3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
3-[(1,1-dioxothiolan-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54914454
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 80584773
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
CID 54917477
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrrolidine-2,5-dione
CID 54927966
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione (CID 54926953) is 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCC2CCN(C)C2)C1=O.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is ANPJIYWJTPXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-16-12(17)7-11(13(16)18)14-8-10-4-6-15(2)9-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione?
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 54926953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).