4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine

C22H25NO — CID 23848485

IUPAC4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
SMILESc1ccc(C2(c3ccccc3)C3CCCC32N2CCOCC2)cc1
InChIInChI=1S/C22H25NO/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)20-12-7-13-21(20,22)23-14-16-24-17-15-23/h1-6,8-11,20H,7,12-17H2
InChIKeyZAGFOAXVNHNHOL-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.86
Rot. Bonds3

About 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine

4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine (PubChem CID 23848485) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine.

Molecular Properties

Compound Name4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
PubChem CID23848485
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
SMILESc1ccc(C2(c3ccccc3)C3CCCC32N2CCOCC2)cc1
InChIInChI=1S/C22H25NO/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)20-12-7-13-21(20,22)23-14-16-24-17-15-23/h1-6,8-11,20H,7,12-17H2
InChIKeyZAGFOAXVNHNHOL-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine?
The IUPAC name of 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine (CID 23848485) is 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine.
What is the SMILES notation for 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine?
The canonical SMILES for 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine is c1ccc(C2(c3ccccc3)C3CCCC32N2CCOCC2)cc1.
What is the InChIKey of 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine?
The InChIKey is ZAGFOAXVNHNHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)20-12-7-13-21(20,22)23-14-16-24-17-15-23/h1-6,8-11,20H,7,12-17H2.
What are the key properties of 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine?
4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine has a molecular weight of 319.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine is sourced from PubChem (CID 23848485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).