(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine

C12H19NO — CID 118407189

IUPAC(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2=CCCC=C2)C[C@H](C)O1
InChIInChI=1S/C12H19NO/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10-,11+
InChIKeyBWVCNPDMWYJTFT-PHIMTYICSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds1

About (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine

(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine (PubChem CID 118407189) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine
PubChem CID118407189
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2=CCCC=C2)C[C@H](C)O1
InChIInChI=1S/C12H19NO/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10-,11+
InChIKeyBWVCNPDMWYJTFT-PHIMTYICSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine (CID 118407189) is (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine is C[C@@H]1CN(C2=CCCC=C2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine?
The InChIKey is BWVCNPDMWYJTFT-PHIMTYICSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10-,11+.
What are the key properties of (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine?
(2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine has a molecular weight of 193.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-cyclohexa-1,5-dien-1-yl-2,6-dimethylmorpholine is sourced from PubChem (CID 118407189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).