4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine

C12H17NO — CID 121012775

IUPAC4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine
SMILESC1=CC2CCC1C=C2N1CCOCC1
InChIInChI=1S/C12H17NO/c1-3-11-4-2-10(1)9-12(11)13-5-7-14-8-6-13/h1,3,9-11H,2,4-8H2
InChIKeyOIVAGGGLBYQYSL-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.80
Rot. Bonds1

About 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine

4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine (PubChem CID 121012775) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine
PubChem CID121012775
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine
SMILESC1=CC2CCC1C=C2N1CCOCC1
InChIInChI=1S/C12H17NO/c1-3-11-4-2-10(1)9-12(11)13-5-7-14-8-6-13/h1,3,9-11H,2,4-8H2
InChIKeyOIVAGGGLBYQYSL-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine?
The IUPAC name of 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine (CID 121012775) is 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine.
What is the SMILES notation for 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine?
The canonical SMILES for 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine is C1=CC2CCC1C=C2N1CCOCC1.
What is the InChIKey of 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine?
The InChIKey is OIVAGGGLBYQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-4-2-10(1)9-12(11)13-5-7-14-8-6-13/h1,3,9-11H,2,4-8H2.
What are the key properties of 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine?
4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.2]octa-2,5-dienyl)morpholine is sourced from PubChem (CID 121012775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).