(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one

C11H19NO2 — CID 58333054

IUPAC(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one
SMILESC[C@@H]1CCO[C@H]1[C@H]1C(=O)CCCN1C
InChIInChI=1S/C11H19NO2/c1-8-5-7-14-11(8)10-9(13)4-3-6-12(10)2/h8,10-11H,3-7H2,1-2H3/t8-,10-,11-/m1/s1
InChIKeyWSFCQPFFNKTFHC-FBIMIBRVSA-N
MW197.28 g/mol
LogP1.07
Rot. Bonds1

About (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one

(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one (PubChem CID 58333054) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one
PubChem CID58333054
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one
SMILESC[C@@H]1CCO[C@H]1[C@H]1C(=O)CCCN1C
InChIInChI=1S/C11H19NO2/c1-8-5-7-14-11(8)10-9(13)4-3-6-12(10)2/h8,10-11H,3-7H2,1-2H3/t8-,10-,11-/m1/s1
InChIKeyWSFCQPFFNKTFHC-FBIMIBRVSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one?
The IUPAC name of (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one (CID 58333054) is (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one.
What is the SMILES notation for (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one?
The canonical SMILES for (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one is C[C@@H]1CCO[C@H]1[C@H]1C(=O)CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one?
The InChIKey is WSFCQPFFNKTFHC-FBIMIBRVSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-5-7-14-11(8)10-9(13)4-3-6-12(10)2/h8,10-11H,3-7H2,1-2H3/t8-,10-,11-/m1/s1.
What are the key properties of (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one?
(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one is sourced from PubChem (CID 58333054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).