1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone

C12H22N2O2 — CID 104958689

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCN2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)6-11-4-3-5-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyVUNWRKQAFIKDBB-ZACCUICWSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds2

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 104958689) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
PubChem CID104958689
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCN2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)6-11-4-3-5-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyVUNWRKQAFIKDBB-ZACCUICWSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(2-methoxyethyl)piperidin-2-yl]acetamide
CID 121538401
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-pyrrolidin-2-ylacetamide
CID 119768425
1-acetyl-N-(2-propoxypropyl)piperidin-4-amine
CID 50968208
N-[(4-acetylmorpholin-2-yl)methyl]hexanamide
CID 56759816
N-[1-(2-Methoxyethyl)piperidin-4-YL]pentanamide
CID 71784691
4-(6-aminohexanoyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 11500394
4-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 15078520
4-(4-Amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 19994818
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 28163728
N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pentanamide
CID 48143239
5-Morpholin-2-ylpyrrolidin-2-one
CID 57319866
CID 57880633
CID 57880633

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone (CID 104958689) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone is C[C@@H]1CN(C(=O)CC2CCCN2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is VUNWRKQAFIKDBB-ZACCUICWSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)6-11-4-3-5-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 104958689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).