3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one

C11H22N2O2 — CID 111547689

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one
SMILESCCN(CC(C)(C)O)C1CCN(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-13(8-11(2,3)15)9-6-7-12(4)10(9)14/h9,15H,5-8H2,1-4H3
InChIKeyKJZUXWIBFIMCEB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds4

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 111547689) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one
PubChem CID111547689
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one
SMILESCCN(CC(C)(C)O)C1CCN(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-13(8-11(2,3)15)9-6-7-12(4)10(9)14/h9,15H,5-8H2,1-4H3
InChIKeyKJZUXWIBFIMCEB-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one (CID 111547689) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one is CCN(CC(C)(C)O)C1CCN(C)C1=O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is KJZUXWIBFIMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13(8-11(2,3)15)9-6-7-12(4)10(9)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 111547689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).