(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one

C10H19NO2 — CID 141420616

IUPAC(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](OC(C)(C)C)[C@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO2/c1-7(13-10(2,3)4)8-5-9(12)11-6-8/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyWCCKDBUPUFLFOO-HTQZYQBOSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds2

About (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 141420616) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID141420616
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](OC(C)(C)C)[C@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO2/c1-7(13-10(2,3)4)8-5-9(12)11-6-8/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyWCCKDBUPUFLFOO-HTQZYQBOSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one (CID 141420616) is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](OC(C)(C)C)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is WCCKDBUPUFLFOO-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(13-10(2,3)4)8-5-9(12)11-6-8/h7-8H,5-6H2,1-4H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141420616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).