3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione

C8H12N2O2 — CID 114616626

IUPAC3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
SMILESC=C(C)CNC1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)4-9-6-3-7(11)10-8(6)12/h6,9H,1,3-4H2,2H3,(H,10,11,12)
InChIKeyYMGLJVCLCHXHEO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds3

About 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione

3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione (PubChem CID 114616626) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
PubChem CID114616626
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
SMILESC=C(C)CNC1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)4-9-6-3-7(11)10-8(6)12/h6,9H,1,3-4H2,2H3,(H,10,11,12)
InChIKeyYMGLJVCLCHXHEO-UHFFFAOYSA-N
XLogP-0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
CID 63966409
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
CID 106285340
3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrrolidine-2,5-dione
CID 106146606
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
CID 107317317

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione (CID 114616626) is 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione is C=C(C)CNC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione?
The InChIKey is YMGLJVCLCHXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)4-9-6-3-7(11)10-8(6)12/h6,9H,1,3-4H2,2H3,(H,10,11,12).
What are the key properties of 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione?
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 114616626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).