1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine

C24H29N — CID 11256011

IUPAC1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
SMILESc1ccc([C@@H]2CC3(N4CCCC4)CCC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H29N/c1-3-9-19(10-4-1)22-17-24(25-15-7-8-16-25)14-13-21(22)23(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21?,22-,23-,24?/m0/s1
InChIKeyGQBUTRRAYWNZDO-XZZNXKJUSA-N
MW331.50 g/mol
LogP5.59
Rot. Bonds3

About 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine

1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine (PubChem CID 11256011) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
PubChem CID11256011
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
SMILESc1ccc([C@@H]2CC3(N4CCCC4)CCC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H29N/c1-3-9-19(10-4-1)22-17-24(25-15-7-8-16-25)14-13-21(22)23(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21?,22-,23-,24?/m0/s1
InChIKeyGQBUTRRAYWNZDO-XZZNXKJUSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine?
The IUPAC name of 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine (CID 11256011) is 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine.
What is the SMILES notation for 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine?
The canonical SMILES for 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine is c1ccc([C@@H]2CC3(N4CCCC4)CCC2[C@H](c2ccccc2)C3)cc1.
What is the InChIKey of 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine?
The InChIKey is GQBUTRRAYWNZDO-XZZNXKJUSA-N. The full InChI is InChI=1S/C24H29N/c1-3-9-19(10-4-1)22-17-24(25-15-7-8-16-25)14-13-21(22)23(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21?,22-,23-,24?/m0/s1.
What are the key properties of 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine?
1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine has a molecular weight of 331.50 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine is sourced from PubChem (CID 11256011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).