3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione

C8H14N2O2 — CID 54496273

IUPAC3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
SMILESCNCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-6-5-7(11)10(8(6)12)4-3-9-2/h6,9H,3-5H2,1-2H3
InChIKeyXZIJSIZMJBSYDL-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.40
Rot. Bonds3

About 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 54496273) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID54496273
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
SMILESCNCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-6-5-7(11)10(8(6)12)4-3-9-2/h6,9H,3-5H2,1-2H3
InChIKeyXZIJSIZMJBSYDL-UHFFFAOYSA-N
XLogP-0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione (CID 54496273) is 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione is CNCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is XZIJSIZMJBSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-5-7(11)10(8(6)12)4-3-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 54496273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).