3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one

C12H19NO2 — CID 2315542

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
SMILESC[C@@H]1CN(C2=CC(=O)CCC2)C[C@H](C)O1
InChIInChI=1S/C12H19NO2/c1-9-7-13(8-10(2)15-9)11-4-3-5-12(14)6-11/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+
InChIKeyUWKQTBRFDQZZRN-AOOOYVTPSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds1

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one (PubChem CID 2315542) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
PubChem CID2315542
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
SMILESC[C@@H]1CN(C2=CC(=O)CCC2)C[C@H](C)O1
InChIInChI=1S/C12H19NO2/c1-9-7-13(8-10(2)15-9)11-4-3-5-12(14)6-11/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+
InChIKeyUWKQTBRFDQZZRN-AOOOYVTPSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one (CID 2315542) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one is C[C@@H]1CN(C2=CC(=O)CCC2)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one?
The InChIKey is UWKQTBRFDQZZRN-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-13(8-10(2)15-9)11-4-3-5-12(14)6-11/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 2315542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).