(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione

C7H11NO2 — CID 6603844

IUPAC(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCC[C@]1(C)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m1/s1
InChIKeyHAPOVYFOVVWLRS-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds1

About (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione

(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 6603844) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID6603844
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCC[C@]1(C)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m1/s1
InChIKeyHAPOVYFOVVWLRS-SSDOTTSWSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 6603844) is (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione is CC[C@]1(C)CC(=O)NC1=O.
What is the InChIKey of (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is HAPOVYFOVVWLRS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione?
(3R)-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 6603844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).