(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine

C25H25N — CID 102174726

IUPAC(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@@H]([C@H]3CCc4ccccc43)N2c2ccccc2)cc1
InChIInChI=1S/C25H25N/c1-3-10-20(11-4-1)24-17-18-25(26(24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)23/h1-14,23-25H,15-18H2/t23-,24+,25-/m0/s1
InChIKeyIFWYYYBPULXFRH-GVAUOCQISA-N
MW339.48 g/mol
LogP6.13
Rot. Bonds3

About (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine

(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine (PubChem CID 102174726) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine
PubChem CID102174726
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@@H]([C@H]3CCc4ccccc43)N2c2ccccc2)cc1
InChIInChI=1S/C25H25N/c1-3-10-20(11-4-1)24-17-18-25(26(24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)23/h1-14,23-25H,15-18H2/t23-,24+,25-/m0/s1
InChIKeyIFWYYYBPULXFRH-GVAUOCQISA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10776328
2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 72942537
(1S,9R)-12-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 46904866
(2R,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-phenyloxolane
CID 102174724
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
(4aR,10bR)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10750589
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 19707357
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-imine
CID 152772913
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine?
The IUPAC name of (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine (CID 102174726) is (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine?
The canonical SMILES for (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine is c1ccc([C@H]2CC[C@@H]([C@H]3CCc4ccccc43)N2c2ccccc2)cc1.
What is the InChIKey of (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine?
The InChIKey is IFWYYYBPULXFRH-GVAUOCQISA-N. The full InChI is InChI=1S/C25H25N/c1-3-10-20(11-4-1)24-17-18-25(26(24)21-12-5-2-6-13-21)23-16-15-19-9-7-8-14-22(19)23/h1-14,23-25H,15-18H2/t23-,24+,25-/m0/s1.
What are the key properties of (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine?
(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine has a molecular weight of 339.48 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine is sourced from PubChem (CID 102174726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).