(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine

C26H27NO — CID 177461252

IUPAC(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine
SMILESC=Cc1ccc(CO[C@H]2CN[C@@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H27NO/c1-2-20-13-15-21(16-14-20)19-28-24-17-25(27-18-24)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h2-16,24-27H,1,17-19H2/t24-,25-/m1/s1
InChIKeyHAQBRTMWFLPTSL-JWQCQUIFSA-N
MW369.51 g/mol
LogP5.41
Rot. Bonds7

About (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine

(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine (PubChem CID 177461252) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine
PubChem CID177461252
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine
SMILESC=Cc1ccc(CO[C@H]2CN[C@@H](C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H27NO/c1-2-20-13-15-21(16-14-20)19-28-24-17-25(27-18-24)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h2-16,24-27H,1,17-19H2/t24-,25-/m1/s1
InChIKeyHAQBRTMWFLPTSL-JWQCQUIFSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine?
The IUPAC name of (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine (CID 177461252) is (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine.
What is the SMILES notation for (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine?
The canonical SMILES for (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine is C=Cc1ccc(CO[C@H]2CN[C@@H](C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine?
The InChIKey is HAQBRTMWFLPTSL-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H27NO/c1-2-20-13-15-21(16-14-20)19-28-24-17-25(27-18-24)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h2-16,24-27H,1,17-19H2/t24-,25-/m1/s1.
What are the key properties of (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine?
(2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine has a molecular weight of 369.51 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-benzhydryl-4-[(4-ethenylphenyl)methoxy]pyrrolidine is sourced from PubChem (CID 177461252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).