3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione

C11H20N2O2 — CID 61168805

IUPAC3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-13-9(14)6-8(10(13)15)12-7-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyVBAHPEKYEYEDAK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds3

About 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione

3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 61168805) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
PubChem CID61168805
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-13-9(14)6-8(10(13)15)12-7-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyVBAHPEKYEYEDAK-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
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-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione (CID 61168805) is 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(NCC(C)(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is VBAHPEKYEYEDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-13-9(14)6-8(10(13)15)12-7-11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione?
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 61168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).