4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one

C12H21NO2 — CID 45156764

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one
SMILESC[C@@H]1CN(C2CCC(=O)CC2)C[C@H](C)O1
InChIInChI=1S/C12H21NO2/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3/t9-,10+
InChIKeyRRJKRACMYODCBJ-AOOOYVTPSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds1

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one (PubChem CID 45156764) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one
PubChem CID45156764
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one
SMILESC[C@@H]1CN(C2CCC(=O)CC2)C[C@H](C)O1
InChIInChI=1S/C12H21NO2/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3/t9-,10+
InChIKeyRRJKRACMYODCBJ-AOOOYVTPSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one (CID 45156764) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one is C[C@@H]1CN(C2CCC(=O)CC2)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one?
The InChIKey is RRJKRACMYODCBJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3/t9-,10+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one is sourced from PubChem (CID 45156764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).