[(2S)-1-tritylaziridin-2-yl]methanol

C22H21NO — CID 10403433

IUPAC[(2S)-1-tritylaziridin-2-yl]methanol
SMILESOC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/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/h1-15,21,24H,16-17H2/t21-,23?/m0/s1
InChIKeyYAFYNSAZZKZZSR-BBQAJUCSSA-N
MW315.42 g/mol
LogP3.65
Rot. Bonds5

About [(2S)-1-tritylaziridin-2-yl]methanol

[(2S)-1-tritylaziridin-2-yl]methanol (PubChem CID 10403433) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is [(2S)-1-tritylaziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-tritylaziridin-2-yl]methanol
PubChem CID10403433
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name[(2S)-1-tritylaziridin-2-yl]methanol
SMILESOC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/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/h1-15,21,24H,16-17H2/t21-,23?/m0/s1
InChIKeyYAFYNSAZZKZZSR-BBQAJUCSSA-N
XLogP3.65
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', '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-tritylaziridin-2-yl]methanol?
The IUPAC name of [(2S)-1-tritylaziridin-2-yl]methanol (CID 10403433) is [(2S)-1-tritylaziridin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-tritylaziridin-2-yl]methanol?
The canonical SMILES for [(2S)-1-tritylaziridin-2-yl]methanol is OC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-tritylaziridin-2-yl]methanol?
The InChIKey is YAFYNSAZZKZZSR-BBQAJUCSSA-N. The full InChI is InChI=1S/C22H21NO/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/h1-15,21,24H,16-17H2/t21-,23?/m0/s1.
What are the key properties of [(2S)-1-tritylaziridin-2-yl]methanol?
[(2S)-1-tritylaziridin-2-yl]methanol has a molecular weight of 315.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-tritylaziridin-2-yl]methanol is sourced from PubChem (CID 10403433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).