(2S)-1-tritylaziridine-2-carbaldehyde

C22H19NO — CID 10267594

IUPAC(2S)-1-tritylaziridine-2-carbaldehyde
SMILESO=C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-17-21-16-23(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/t21-,23?/m0/s1
InChIKeyNEUUUDUJOWNVQD-BBQAJUCSSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds5

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

(2S)-1-tritylaziridine-2-carbaldehyde (PubChem CID 10267594) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-1-tritylaziridine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-tritylaziridine-2-carbaldehyde
PubChem CID10267594
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(2S)-1-tritylaziridine-2-carbaldehyde
SMILESO=C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-17-21-16-23(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/t21-,23?/m0/s1
InChIKeyNEUUUDUJOWNVQD-BBQAJUCSSA-N
XLogP3.86
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-tritylaziridine-2-carboxylate
CID 291744
(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
(S)-Methyl 1-tritylaziridine-2-carboxylate
CID 11142453
1-Tritylpiperidin-4-one
CID 2748414
((2S)-1-(triphenylmethyl)aziridin-2-yl)methanol
CID 10403433
methyl (2R)-1-(triphenylmethyl)aziridine-2-carboxylate
CID 10925956
[(2R)-1-(Triphenylmethyl)aziridin-2-YL]methanol
CID 124514979
2-(Dibenzylamino)-3-phenylpropanal
CID 563896
(alphaS)-alpha-[Bis(phenylmethyl)amino]benzenepropanal
CID 9883943
(Dibenzylamino)acetaldehyde
CID 13622256
3-Tert-butyl-1-tritylaziridin-2-one
CID 11371692
(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
CID 10757730

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tritylaziridine-2-carbaldehyde?
The IUPAC name of (2S)-1-tritylaziridine-2-carbaldehyde (CID 10267594) is (2S)-1-tritylaziridine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-tritylaziridine-2-carbaldehyde?
The canonical SMILES for (2S)-1-tritylaziridine-2-carbaldehyde is O=C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-tritylaziridine-2-carbaldehyde?
The InChIKey is NEUUUDUJOWNVQD-BBQAJUCSSA-N. The full InChI is InChI=1S/C22H19NO/c24-17-21-16-23(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/t21-,23?/m0/s1.
What are the key properties of (2S)-1-tritylaziridine-2-carbaldehyde?
(2S)-1-tritylaziridine-2-carbaldehyde has a molecular weight of 313.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tritylaziridine-2-carbaldehyde is sourced from PubChem (CID 10267594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).