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

C9H16N2O2 — CID 65297434

IUPAC3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
SMILESCNCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-9(2)6-7(12)11(8(9)13)5-4-10-3/h10H,4-6H2,1-3H3
InChIKeyVZVLXVSDRUAKJT-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds3

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

3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 65297434) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID65297434
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
SMILESCNCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-9(2)6-7(12)11(8(9)13)5-4-10-3/h10H,4-6H2,1-3H3
InChIKeyVZVLXVSDRUAKJT-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
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 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione (CID 65297434) is 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione is CNCCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is VZVLXVSDRUAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2)6-7(12)11(8(9)13)5-4-10-3/h10H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65297434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).