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

C13H23NO — CID 2053820

IUPAC(2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([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/t9-,10+,11-,12+,13+/m1/s1
InChIKeyJGRVRVSDECOICA-FHUSYTEZSA-N
MW209.33 g/mol
LogP2.28
Rot. Bonds1

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

(2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine (PubChem CID 2053820) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine
PubChem CID2053820
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([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/t9-,10+,11-,12+,13+/m1/s1
InChIKeyJGRVRVSDECOICA-FHUSYTEZSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine (CID 2053820) is (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine is C[C@@H]1CN([C@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine?
The InChIKey is JGRVRVSDECOICA-FHUSYTEZSA-N. 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/t9-,10+,11-,12+,13+/m1/s1.
What are the key properties of (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine has a molecular weight of 209.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2053820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).