1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine

C22H28N2 — CID 71419478

IUPAC1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine
SMILESc1ccc([C@@H]([C@H](c2ccccc2)N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C22H28N2/c1-3-11-19(12-4-1)21(23-15-7-8-16-23)22(24-17-9-10-18-24)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/t21-,22-/m0/s1
InChIKeyXAMJZICIEQIVJK-VXKWHMMOSA-N
MW320.48 g/mol
LogP4.66
Rot. Bonds5

About 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine

1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine (PubChem CID 71419478) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine
PubChem CID71419478
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine
SMILESc1ccc([C@@H]([C@H](c2ccccc2)N2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C22H28N2/c1-3-11-19(12-4-1)21(23-15-7-8-16-23)22(24-17-9-10-18-24)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/t21-,22-/m0/s1
InChIKeyXAMJZICIEQIVJK-VXKWHMMOSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine?
The IUPAC name of 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine (CID 71419478) is 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine.
What is the SMILES notation for 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine?
The canonical SMILES for 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine is c1ccc([C@@H]([C@H](c2ccccc2)N2CCCC2)N2CCCC2)cc1.
What is the InChIKey of 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine?
The InChIKey is XAMJZICIEQIVJK-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-11-19(12-4-1)21(23-15-7-8-16-23)22(24-17-9-10-18-24)20-13-5-2-6-14-20/h1-6,11-14,21-22H,7-10,15-18H2/t21-,22-/m0/s1.
What are the key properties of 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine?
1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine has a molecular weight of 320.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethyl]pyrrolidine is sourced from PubChem (CID 71419478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).