(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine

C21H25N — CID 67894847

IUPAC(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine
SMILESCCCN1CC[C@@H](c2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H25N/c1-2-16-22-17-15-20(19-11-7-4-8-12-19)21(22)14-13-18-9-5-3-6-10-18/h3-14,20-21H,2,15-17H2,1H3/b14-13+/t20-,21+/m0/s1
InChIKeyZLEUERFMJCSOFK-YIXGJFGDSA-N
MW291.44 g/mol
LogP4.97
Rot. Bonds5

About (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine

(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine (PubChem CID 67894847) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine
PubChem CID67894847
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine
SMILESCCCN1CC[C@@H](c2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H25N/c1-2-16-22-17-15-20(19-11-7-4-8-12-19)21(22)14-13-18-9-5-3-6-10-18/h3-14,20-21H,2,15-17H2,1H3/b14-13+/t20-,21+/m0/s1
InChIKeyZLEUERFMJCSOFK-YIXGJFGDSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine?
The IUPAC name of (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine (CID 67894847) is (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine.
What is the SMILES notation for (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine?
The canonical SMILES for (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine is CCCN1CC[C@@H](c2ccccc2)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine?
The InChIKey is ZLEUERFMJCSOFK-YIXGJFGDSA-N. The full InChI is InChI=1S/C21H25N/c1-2-16-22-17-15-20(19-11-7-4-8-12-19)21(22)14-13-18-9-5-3-6-10-18/h3-14,20-21H,2,15-17H2,1H3/b14-13+/t20-,21+/m0/s1.
What are the key properties of (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine?
(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine has a molecular weight of 291.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine is sourced from PubChem (CID 67894847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).