2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde

C24H23NO — CID 137368509

IUPAC2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde
SMILESO=CC[C@@H]1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO/c26-19-17-23-16-18-25(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2/t23-/m0/s1
InChIKeyDQLFFDCIXURNHO-QHCPKHFHSA-N
MW341.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde

2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde (PubChem CID 137368509) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde
PubChem CID137368509
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde
SMILESO=CC[C@@H]1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO/c26-19-17-23-16-18-25(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2/t23-/m0/s1
InChIKeyDQLFFDCIXURNHO-QHCPKHFHSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

4-chloro-2-phenyl-1-tritylpiperidine
CID 174343301
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
(1-tritylpiperidin-4-yl)methanamine
CID 18668757
1-(1-tritylpiperidin-4-yl)propan-2-one
CID 20685215
2-[[(2S,3S)-3-cyano-1-tritylpyrrolidin-2-yl]methylidene]propanedinitrile
CID 101417988
(2S)-4-(2,2-dimethyl-1-phenylpropyl)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87323947
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
methyl (2S,3S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-tritylpyrrolidine-3-carboxylate
CID 11259936
2-[(3R,5R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl]acetaldehyde
CID 10728230
2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol
CID 165163748

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde (CID 137368509) is 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde is O=CC[C@@H]1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde?
The InChIKey is DQLFFDCIXURNHO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO/c26-19-17-23-16-18-25(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2/t23-/m0/s1.
What are the key properties of 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde?
2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde has a molecular weight of 341.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-tritylazetidin-2-yl]acetaldehyde is sourced from PubChem (CID 137368509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).