1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one

C8H15NO2 — CID 89730131

IUPAC1-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)ON1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)11-9-6-4-5-7(9)10/h4-6H2,1-3H3
InChIKeyBFUUYINTANNRMO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

About 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one

1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one (PubChem CID 89730131) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one
PubChem CID89730131
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)ON1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)11-9-6-4-5-7(9)10/h4-6H2,1-3H3
InChIKeyBFUUYINTANNRMO-UHFFFAOYSA-N
XLogP0.80
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity160

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one?
The IUPAC name of 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one (CID 89730131) is 1-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one is CC(C)(C)ON1CCCC1=O.
What is the InChIKey of 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one?
The InChIKey is BFUUYINTANNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)11-9-6-4-5-7(9)10/h4-6H2,1-3H3.
What are the key properties of 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one?
1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one is sourced from PubChem (CID 89730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).