(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one

C8H15NO2 — CID 10888164

IUPAC(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)O[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H15NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyVMJJDPQSCOVAIM-LURJTMIESA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds1

About (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one

(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one (PubChem CID 10888164) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
PubChem CID10888164
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one
SMILESCC(C)(C)O[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H15NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyVMJJDPQSCOVAIM-LURJTMIESA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one (CID 10888164) is (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one is CC(C)(C)O[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
The InChIKey is VMJJDPQSCOVAIM-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one?
(4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-one is sourced from PubChem (CID 10888164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).