2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine

C11H15NO2 — CID 23241191

IUPAC2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine
SMILESCC(C)(C)N1OC1/C=C/c1ccco1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-10(14-12)7-6-9-5-4-8-13-9/h4-8,10H,1-3H3/b7-6+
InChIKeyHUBQENOHBDSYFV-VOTSOKGWSA-N
MW193.25 g/mol
LogP2.66
Rot. Bonds2

About 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine

2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine (PubChem CID 23241191) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine.

Molecular Properties

Compound Name2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine
PubChem CID23241191
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine
SMILESCC(C)(C)N1OC1/C=C/c1ccco1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-10(14-12)7-6-9-5-4-8-13-9/h4-8,10H,1-3H3/b7-6+
InChIKeyHUBQENOHBDSYFV-VOTSOKGWSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-[2-(furan-2-yl)ethenyl]oxolan-2-yl]ethenyl]furan
CID 123596794
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(E)-2-phenylethenyl]furan
CID 642118
2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane
CID 44631270
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
bis[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-dimethylsilane
CID 177455592
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
2-nona-1,3,5,7-tetraenylfuran
CID 173428871

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine?
The IUPAC name of 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine (CID 23241191) is 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine.
What is the SMILES notation for 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine?
The canonical SMILES for 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine is CC(C)(C)N1OC1/C=C/c1ccco1.
What is the InChIKey of 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine?
The InChIKey is HUBQENOHBDSYFV-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12-10(14-12)7-6-9-5-4-8-13-9/h4-8,10H,1-3H3/b7-6+.
What are the key properties of 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine?
2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine has a molecular weight of 193.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine is sourced from PubChem (CID 23241191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).