(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine

C31H29NO — CID 102054852

IUPAC(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
SMILESC=C[C@@H]1[C@H](COCc2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO/c1-2-29-30(24-33-23-25-15-7-3-8-16-25)32(29)31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h2-22,29-30H,1,23-24H2/t29-,30+,32?/m1/s1
InChIKeyOLQRIHPNKYMBII-CLZOGUKSSA-N
MW431.58 g/mol
LogP6.43
Rot. Bonds9

About (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine

(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine (PubChem CID 102054852) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
PubChem CID102054852
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC Name(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
SMILESC=C[C@@H]1[C@H](COCc2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NO/c1-2-29-30(24-33-23-25-15-7-3-8-16-25)32(29)31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h2-22,29-30H,1,23-24H2/t29-,30+,32?/m1/s1
InChIKeyOLQRIHPNKYMBII-CLZOGUKSSA-N
XLogP6.43
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

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CID 10317947
1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
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[(S)-1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-dimethyl-amine
CID 9976640
1-(2-Benzhydryloxyethyl)-4-benzylpiperazine
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3-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1,1-diphenylpropan-2-amine
CID 9799676
[(R)-1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-dimethyl-amine
CID 44299875
Benzyl-[1-(3,5-dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-amine
CID 44299876
1-Benzyl-1-(2-phenylmethoxyethyl)piperidin-1-ium
CID 4085841
4-Benzyl-2,2-dimethyl-6,6-diphenylmorpholine;hydrochloride
CID 12283002
(11S)-11-benzyl-4-fluoro-12-methyl-9-oxa-12-azatricyclo[12.4.0.02,7]octadeca-1(18),2(7),3,5,14,16-hexaene
CID 101155182

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The IUPAC name of (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine (CID 102054852) is (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine.
What is the SMILES notation for (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The canonical SMILES for (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine is C=C[C@@H]1[C@H](COCc2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
The InChIKey is OLQRIHPNKYMBII-CLZOGUKSSA-N. The full InChI is InChI=1S/C31H29NO/c1-2-29-30(24-33-23-25-15-7-3-8-16-25)32(29)31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h2-22,29-30H,1,23-24H2/t29-,30+,32?/m1/s1.
What are the key properties of (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine?
(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine has a molecular weight of 431.58 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine is sourced from PubChem (CID 102054852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).