(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one

C9H17NO2 — CID 57229408

IUPAC(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
SMILESCCC[C@H](C)O[C@H]1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-3-4-7(2)12-8-5-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyTZOFVYABCSNVSQ-JGVFFNPUSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one

(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one (PubChem CID 57229408) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
PubChem CID57229408
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
SMILESCCC[C@H](C)O[C@H]1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-3-4-7(2)12-8-5-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyTZOFVYABCSNVSQ-JGVFFNPUSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one (CID 57229408) is (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one is CCC[C@H](C)O[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one?
The InChIKey is TZOFVYABCSNVSQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-7(2)12-8-5-9(11)10-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one?
(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one is sourced from PubChem (CID 57229408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).