3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione

C9H16N2O2 — CID 61166040

IUPAC3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)CNC1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)5-10-6-4-7(12)11-8(6)13/h6,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHSXKNRNHRIQHNJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds2

About 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione

3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione (PubChem CID 61166040) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
PubChem CID61166040
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
SMILESCC(C)(C)CNC1CC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)5-10-6-4-7(12)11-8(6)13/h6,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHSXKNRNHRIQHNJ-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrrolidine-2,5-dione
CID 106146606
3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83141889
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
CID 63966409
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
CID 106285340
6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid
CID 65287371
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrrolidine-2,5-dione
CID 106189830
3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 130834825
3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
CID 106096164
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione (CID 61166040) is 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione is CC(C)(C)CNC1CC(=O)NC1=O.
What is the InChIKey of 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is HSXKNRNHRIQHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)5-10-6-4-7(12)11-8(6)13/h6,10H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione?
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 61166040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).