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

C11H20NO+ — CID 6952467

IUPAC4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
SMILESC1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)CCO1
InChIInChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11+/m1/s1
InChIKeyLDVODLJMMNMQAV-MXWKQRLJSA-O
MW182.29 g/mol
LogP0.09
Rot. Bonds1

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

4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium (PubChem CID 6952467) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
PubChem CID6952467
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
SMILESC1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)CCO1
InChIInChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11+/m1/s1
InChIKeyLDVODLJMMNMQAV-MXWKQRLJSA-O
XLogP0.09
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The IUPAC name of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium (CID 6952467) is 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium.
What is the SMILES notation for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The canonical SMILES for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium is C1C[NH+]([C@H]2C[C@@H]3CC[C@@H]2C3)CCO1.
What is the InChIKey of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The InChIKey is LDVODLJMMNMQAV-MXWKQRLJSA-O. The full InChI is InChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11+/m1/s1.
What are the key properties of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium has a molecular weight of 182.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium is sourced from PubChem (CID 6952467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).