(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium

C13H24NO+ — CID 7012471

IUPAC(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)C[C@H](C)O1
InChIInChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3/p+1/t9-,10+,11-,12-,13+/m1/s1
InChIKeyJGRVRVSDECOICA-MLGHIDQZSA-O
MW210.34 g/mol
LogP0.87
Rot. Bonds1

About (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium

(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 7012471) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium
PubChem CID7012471
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)C[C@H](C)O1
InChIInChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3/p+1/t9-,10+,11-,12-,13+/m1/s1
InChIKeyJGRVRVSDECOICA-MLGHIDQZSA-O
XLogP0.87
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium with MolForge

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Related Compounds

4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
CID 6952467
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
CID 18555426
4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine
CID 2846659
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazin-1-ium
CID 7325610
4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-4-ium-1-carbaldehyde
CID 11865383
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 124764201
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 11905594
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium (CID 7012471) is (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium is C[C@@H]1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is JGRVRVSDECOICA-MLGHIDQZSA-O. The full InChI is InChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3/p+1/t9-,10+,11-,12-,13+/m1/s1.
What are the key properties of (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium?
(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 210.34 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 7012471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).