4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one

C12H22N2O2 — CID 106183674

IUPAC4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CC(NC2CNC(=O)C2)C(C)(C)O1
InChIInChI=1S/C12H22N2O2/c1-11(2)6-9(12(3,4)16-11)14-8-5-10(15)13-7-8/h8-9,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyOVTFGFFMMRIYCM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds2

About 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one

4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one (PubChem CID 106183674) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
PubChem CID106183674
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
SMILESCC1(C)CC(NC2CNC(=O)C2)C(C)(C)O1
InChIInChI=1S/C12H22N2O2/c1-11(2)6-9(12(3,4)16-11)14-8-5-10(15)13-7-8/h8-9,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyOVTFGFFMMRIYCM-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one (CID 106183674) is 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one is CC1(C)CC(NC2CNC(=O)C2)C(C)(C)O1.
What is the InChIKey of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The InChIKey is OVTFGFFMMRIYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2)6-9(12(3,4)16-11)14-8-5-10(15)13-7-8/h8-9,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106183674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).