3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one

C14H23NO2 — CID 2322570

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
SMILESC[C@@H]1CN(C2=CC(=O)CC(C)(C)C2)C[C@@H](C)O1
InChIInChI=1S/C14H23NO2/c1-10-8-15(9-11(2)17-10)12-5-13(16)7-14(3,4)6-12/h5,10-11H,6-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHQZWWBYUGZRNPM-GHMZBOCLSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds1

About 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 2322570) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
PubChem CID2322570
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
SMILESC[C@@H]1CN(C2=CC(=O)CC(C)(C)C2)C[C@@H](C)O1
InChIInChI=1S/C14H23NO2/c1-10-8-15(9-11(2)17-10)12-5-13(16)7-14(3,4)6-12/h5,10-11H,6-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyHQZWWBYUGZRNPM-GHMZBOCLSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one (CID 2322570) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one is C[C@@H]1CN(C2=CC(=O)CC(C)(C)C2)C[C@@H](C)O1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is HQZWWBYUGZRNPM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-8-15(9-11(2)17-10)12-5-13(16)7-14(3,4)6-12/h5,10-11H,6-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one?
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 2322570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).