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

C11H19NO — CID 10631257

IUPAC4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine
SMILESC1CN([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/t9-,10+,11+/m1/s1
InChIKeyLDVODLJMMNMQAV-VWYCJHECSA-N
MW181.28 g/mol
LogP1.51
Rot. Bonds1

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

4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine (PubChem CID 10631257) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine
PubChem CID10631257
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine
SMILESC1CN([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/t9-,10+,11+/m1/s1
InChIKeyLDVODLJMMNMQAV-VWYCJHECSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine?
The IUPAC name of 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine (CID 10631257) is 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine.
What is the SMILES notation for 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine?
The canonical SMILES for 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine is C1CN([C@H]2C[C@@H]3CC[C@H]2C3)CCO1.
What is the InChIKey of 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine?
The InChIKey is LDVODLJMMNMQAV-VWYCJHECSA-N. 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/t9-,10+,11+/m1/s1.
What are the key properties of 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine?
4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine has a molecular weight of 181.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholine is sourced from PubChem (CID 10631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).