(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane

C24H30N2 — CID 44585538

IUPAC(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
SMILESc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23,25H,7-8,13-18H2/t21-,22-,23?,24?/m0/s1
InChIKeyJAUSJLJIGYRGJQ-WOLZVPSQSA-N
MW346.52 g/mol
LogP4.54
Rot. Bonds3

About (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane

(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane (PubChem CID 44585538) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
PubChem CID44585538
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
SMILESc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23,25H,7-8,13-18H2/t21-,22-,23?,24?/m0/s1
InChIKeyJAUSJLJIGYRGJQ-WOLZVPSQSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane?
The IUPAC name of (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane (CID 44585538) is (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane.
What is the SMILES notation for (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane?
The canonical SMILES for (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane is c1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@H](c2ccccc2)C3)cc1.
What is the InChIKey of (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane?
The InChIKey is JAUSJLJIGYRGJQ-WOLZVPSQSA-N. The full InChI is InChI=1S/C24H30N2/c1-3-9-19(10-4-1)21-17-24(26-15-7-8-16-26)13-14-25-23(21)22(18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23,25H,7-8,13-18H2/t21-,22-,23?,24?/m0/s1.
What are the key properties of (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane?
(7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane has a molecular weight of 346.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7,8-diphenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 44585538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).