2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]

C24H23NO — CID 606890

IUPAC2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]
SMILESCc1cc(C)c(C(C)N2OC23c2ccccc2-c2ccccc23)c(C)c1
InChIInChI=1S/C24H23NO/c1-15-13-16(2)23(17(3)14-15)18(4)25-24(26-25)21-11-7-5-9-19(21)20-10-6-8-12-22(20)24/h5-14,18H,1-4H3
InChIKeyADTWDOHEINRFMO-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.80
Rot. Bonds2

About 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]

2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine] (PubChem CID 606890) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine].

Molecular Properties

Compound Name2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]
PubChem CID606890
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]
SMILESCc1cc(C)c(C(C)N2OC23c2ccccc2-c2ccccc23)c(C)c1
InChIInChI=1S/C24H23NO/c1-15-13-16(2)23(17(3)14-15)18(4)25-24(26-25)21-11-7-5-9-19(21)20-10-6-8-12-22(20)24/h5-14,18H,1-4H3
InChIKeyADTWDOHEINRFMO-UHFFFAOYSA-N
XLogP5.80
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]?
The IUPAC name of 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine] (CID 606890) is 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine].
What is the SMILES notation for 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]?
The canonical SMILES for 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine] is Cc1cc(C)c(C(C)N2OC23c2ccccc2-c2ccccc23)c(C)c1.
What is the InChIKey of 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]?
The InChIKey is ADTWDOHEINRFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-15-13-16(2)23(17(3)14-15)18(4)25-24(26-25)21-11-7-5-9-19(21)20-10-6-8-12-22(20)24/h5-14,18H,1-4H3.
What are the key properties of 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine]?
2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine] has a molecular weight of 341.45 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[1-(2,4,6-trimethylphenyl)ethyl]spiro[fluorene-9,3'-oxaziridine] is sourced from PubChem (CID 606890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).