2-tert-butyl-3-methyloxaziridine

C6H13NO — CID 21280119

IUPAC2-tert-butyl-3-methyloxaziridine
SMILESCC1ON1C(C)(C)C
InChIInChI=1S/C6H13NO/c1-5-7(8-5)6(2,3)4/h5H,1-4H3
InChIKeyKGUCOSHMHHCUNS-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.38
Rot. Bonds

About 2-tert-butyl-3-methyloxaziridine

2-tert-butyl-3-methyloxaziridine (PubChem CID 21280119) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-tert-butyl-3-methyloxaziridine.

Molecular Properties

Compound Name2-tert-butyl-3-methyloxaziridine
PubChem CID21280119
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-tert-butyl-3-methyloxaziridine
SMILESCC1ON1C(C)(C)C
InChIInChI=1S/C6H13NO/c1-5-7(8-5)6(2,3)4/h5H,1-4H3
InChIKeyKGUCOSHMHHCUNS-UHFFFAOYSA-N
XLogP1.38
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.38
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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Related Compounds

1-Methoxy-2,2,3-trimethylaziridine
CID 535772
Oxaziridine, 2-(1,1-dimethylethyl)-, (S)-
CID 12307576
1-Methoxy-2,2-dimethylaziridine
CID 129790560
Aziridine, 1-methoxy-2,2,3-trimethyl, anty
CID 91751208
1-Ethoxy-2,2,3-trimethylaziridine(sin)
CID 558403
2,3-Di(propan-2-yl)oxaziridine
CID 14491249
2-tert-Butyl-3-(propan-2-yl)oxaziridine
CID 14745405
2,3-Ditert-butyl-1,2-oxaziridine
CID 15033437
2-Tert-butyl-3-ethyloxaziridine
CID 21280110
3-Methyl-2-propan-2-yloxaziridine
CID 21280113
3-Methyl-2-(2-methylbutan-2-yl)oxaziridine
CID 21280115
3-Ethyl-2-(2-methylbutan-2-yl)oxaziridine
CID 21280122

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyloxaziridine?
The IUPAC name of 2-tert-butyl-3-methyloxaziridine (CID 21280119) is 2-tert-butyl-3-methyloxaziridine.
What is the SMILES notation for 2-tert-butyl-3-methyloxaziridine?
The canonical SMILES for 2-tert-butyl-3-methyloxaziridine is CC1ON1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyloxaziridine?
The InChIKey is KGUCOSHMHHCUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-7(8-5)6(2,3)4/h5H,1-4H3.
What are the key properties of 2-tert-butyl-3-methyloxaziridine?
2-tert-butyl-3-methyloxaziridine has a molecular weight of 115.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyloxaziridine is sourced from PubChem (CID 21280119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).