3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione

C12H20N2O2 — CID 45095533

IUPAC3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CN2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(2)8-10(15)14(11(12)16)9-13-6-4-5-7-13/h3-9H2,1-2H3
InChIKeyDIEOOYPBHUCZBQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds3

About 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione

3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 45095533) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione
PubChem CID45095533
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CN2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(2)8-10(15)14(11(12)16)9-13-6-4-5-7-13/h3-9H2,1-2H3
InChIKeyDIEOOYPBHUCZBQ-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
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-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione (CID 45095533) is 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione is CCC1(C)CC(=O)N(CN2CCCC2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is DIEOOYPBHUCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(2)8-10(15)14(11(12)16)9-13-6-4-5-7-13/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione?
3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45095533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).