3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione

C15H26N2O3 — CID 104747873

IUPAC3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)C1=O)C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-4-6-16-12(11-5-7-20-10-11)9-17-13(18)8-15(2,3)14(17)19/h11-12,16H,4-10H2,1-3H3
InChIKeyDLKWESLUYSBYIU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds6

About 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 104747873) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID104747873
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)C1=O)C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-4-6-16-12(11-5-7-20-10-11)9-17-13(18)8-15(2,3)14(17)19/h11-12,16H,4-10H2,1-3H3
InChIKeyDLKWESLUYSBYIU-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
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

4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747837
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104745193
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)propanenitrile
CID 65301387
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 65301960
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione (CID 104747873) is 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione is CCCNC(CN1C(=O)CC(C)(C)C1=O)C1CCOC1.
What is the InChIKey of 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is DLKWESLUYSBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-6-16-12(11-5-7-20-10-11)9-17-13(18)8-15(2,3)14(17)19/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 104747873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).