3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione

C12H18N4O4 — CID 166636038

IUPAC3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(CCN(C)C1CC(=O)NC1=O)C1CC(=O)NC1=O
InChIInChI=1S/C12H18N4O4/c1-15(7-5-9(17)13-11(7)19)3-4-16(2)8-6-10(18)14-12(8)20/h7-8H,3-6H2,1-2H3,(H,13,17,19)(H,14,18,20)
InChIKeyRNDOWHNKDORXAG-UHFFFAOYSA-N
MW282.30 g/mol
LogP-2.32
Rot. Bonds5

About 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione

3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione (PubChem CID 166636038) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione
PubChem CID166636038
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione
SMILESCN(CCN(C)C1CC(=O)NC1=O)C1CC(=O)NC1=O
InChIInChI=1S/C12H18N4O4/c1-15(7-5-9(17)13-11(7)19)3-4-16(2)8-6-10(18)14-12(8)20/h7-8H,3-6H2,1-2H3,(H,13,17,19)(H,14,18,20)
InChIKeyRNDOWHNKDORXAG-UHFFFAOYSA-N
XLogP-2.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione (CID 166636038) is 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione is CN(CCN(C)C1CC(=O)NC1=O)C1CC(=O)NC1=O.
What is the InChIKey of 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione?
The InChIKey is RNDOWHNKDORXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(7-5-9(17)13-11(7)19)3-4-16(2)8-6-10(18)14-12(8)20/h7-8H,3-6H2,1-2H3,(H,13,17,19)(H,14,18,20).
What are the key properties of 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione?
3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of -2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,5-dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 166636038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).