(2S)-1-tritylpyrrolidine-2-carbaldehyde

C24H23NO — CID 11405106

IUPAC(2S)-1-tritylpyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO/c26-19-23-17-10-18-25(23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,23H,10,17-18H2/t23-/m0/s1
InChIKeyBGWFJHBPHRTUOJ-QHCPKHFHSA-N
MW341.45 g/mol
LogP4.64
Rot. Bonds5

About (2S)-1-tritylpyrrolidine-2-carbaldehyde

(2S)-1-tritylpyrrolidine-2-carbaldehyde (PubChem CID 11405106) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-1-tritylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-tritylpyrrolidine-2-carbaldehyde
PubChem CID11405106
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(2S)-1-tritylpyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO/c26-19-23-17-10-18-25(23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,23H,10,17-18H2/t23-/m0/s1
InChIKeyBGWFJHBPHRTUOJ-QHCPKHFHSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tritylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-tritylpyrrolidine-2-carbaldehyde (CID 11405106) is (2S)-1-tritylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-tritylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-tritylpyrrolidine-2-carbaldehyde is O=C[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-tritylpyrrolidine-2-carbaldehyde?
The InChIKey is BGWFJHBPHRTUOJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO/c26-19-23-17-10-18-25(23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,23H,10,17-18H2/t23-/m0/s1.
What are the key properties of (2S)-1-tritylpyrrolidine-2-carbaldehyde?
(2S)-1-tritylpyrrolidine-2-carbaldehyde has a molecular weight of 341.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tritylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 11405106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).