2,3-di(propan-2-yl)oxaziridine

C7H15NO — CID 14491249

IUPAC2,3-di(propan-2-yl)oxaziridine
SMILESCC(C)C1ON1C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7-8(9-7)6(3)4/h5-7H,1-4H3
InChIKeyXRRUENXWJXWJGS-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.62
Rot. Bonds2

About 2,3-di(propan-2-yl)oxaziridine

2,3-di(propan-2-yl)oxaziridine (PubChem CID 14491249) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)oxaziridine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)oxaziridine
PubChem CID14491249
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,3-di(propan-2-yl)oxaziridine
SMILESCC(C)C1ON1C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7-8(9-7)6(3)4/h5-7H,1-4H3
InChIKeyXRRUENXWJXWJGS-UHFFFAOYSA-N
XLogP1.62
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.62
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

(3R)-3-methyl-2-propan-2-yloxaziridine
CID 124582025
3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine
CID 101378849
(4R)-4-methyl-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 134572943
3,4-dimethyl-5-propan-2-yl-1,2,4-oxadiazolidine
CID 91576126
3-methyl-2-propan-2-yl-1,3-oxazolidine
CID 3039948
3-ethyl-2-propan-2-yl-1,2-oxazolidine
CID 170275832
(3R,5R)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 688278
methyl(propan-2-ylsilyl)silane
CID 173300839
3-ethoxy-2-propan-2-yl-2H-1,3-oxazole
CID 174941697
1,2,5-tri(propan-2-yl)pyrrolidine
CID 58779096
3,4-di(propan-2-yl)-1,3-oxazolidine
CID 58916313
3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole
CID 176902625

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)oxaziridine?
The IUPAC name of 2,3-di(propan-2-yl)oxaziridine (CID 14491249) is 2,3-di(propan-2-yl)oxaziridine.
What is the SMILES notation for 2,3-di(propan-2-yl)oxaziridine?
The canonical SMILES for 2,3-di(propan-2-yl)oxaziridine is CC(C)C1ON1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)oxaziridine?
The InChIKey is XRRUENXWJXWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7-8(9-7)6(3)4/h5-7H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)oxaziridine?
2,3-di(propan-2-yl)oxaziridine has a molecular weight of 129.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)oxaziridine is sourced from PubChem (CID 14491249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).