(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium

C22H22N+ — CID 7330151

IUPAC(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium
SMILESc1ccc([C@@H]2C[C@@H](c3ccccc3)[C@H](c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C22H21N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20-23H,16H2/p+1/t20-,21-,22-/m0/s1
InChIKeyGUWDVBGTMKIQDY-FKBYEOEOSA-O
MW300.43 g/mol
LogP4.22
Rot. Bonds3

About (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium

(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium (PubChem CID 7330151) has the molecular formula C22H22N+ and a molecular weight of 300.43 g/mol. Its IUPAC name is (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium.

Molecular Properties

Compound Name(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium
PubChem CID7330151
Molecular FormulaC22H22N+
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium
SMILESc1ccc([C@@H]2C[C@@H](c3ccccc3)[C@H](c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C22H21N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20-23H,16H2/p+1/t20-,21-,22-/m0/s1
InChIKeyGUWDVBGTMKIQDY-FKBYEOEOSA-O
XLogP4.22
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(2S,3S,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7124282
(NE)-N-[(2S,3R,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 6981835
2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 3611514
(2R,3S,5S,6S)-3,5-dimethyl-2,6-diphenylpiperidin-1-ium-4-one
CID 7072936
3,5-dimethyl-2,6-diphenylpiperidin-1-ium-4-one
CID 3672350
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
(2R,3S,4R,6S)-2,6-diphenyl-4-(2-phenylethynyl)-3-propan-2-ylpiperidin-1-ium-4-ol
CID 7392919
(2R,3R,6S)-3-benzyl-2,6-diphenylpiperidin-1-ium-4-one
CID 7451823
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7420825

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium?
The IUPAC name of (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium (CID 7330151) is (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium.
What is the SMILES notation for (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium?
The canonical SMILES for (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium is c1ccc([C@@H]2C[C@@H](c3ccccc3)[C@H](c3ccccc3)[NH2+]2)cc1.
What is the InChIKey of (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium?
The InChIKey is GUWDVBGTMKIQDY-FKBYEOEOSA-O. The full InChI is InChI=1S/C22H21N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20-23H,16H2/p+1/t20-,21-,22-/m0/s1.
What are the key properties of (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium?
(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium has a molecular weight of 300.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium is sourced from PubChem (CID 7330151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).