3-methyl-2-propan-2-yloxaziridine

C5H11NO — CID 21280113

IUPAC3-methyl-2-propan-2-yloxaziridine
SMILESCC(C)N1OC1C
InChIInChI=1S/C5H11NO/c1-4(2)6-5(3)7-6/h4-5H,1-3H3
InChIKeyNNMAOFDNCCCMFJ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.99
Rot. Bonds1

About 3-methyl-2-propan-2-yloxaziridine

3-methyl-2-propan-2-yloxaziridine (PubChem CID 21280113) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yloxaziridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yloxaziridine
PubChem CID21280113
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methyl-2-propan-2-yloxaziridine
SMILESCC(C)N1OC1C
InChIInChI=1S/C5H11NO/c1-4(2)6-5(3)7-6/h4-5H,1-3H3
InChIKeyNNMAOFDNCCCMFJ-UHFFFAOYSA-N
XLogP0.99
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.99
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 3-methyl-2-propan-2-yloxaziridine?
The IUPAC name of 3-methyl-2-propan-2-yloxaziridine (CID 21280113) is 3-methyl-2-propan-2-yloxaziridine.
What is the SMILES notation for 3-methyl-2-propan-2-yloxaziridine?
The canonical SMILES for 3-methyl-2-propan-2-yloxaziridine is CC(C)N1OC1C.
What is the InChIKey of 3-methyl-2-propan-2-yloxaziridine?
The InChIKey is NNMAOFDNCCCMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)6-5(3)7-6/h4-5H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yloxaziridine?
3-methyl-2-propan-2-yloxaziridine has a molecular weight of 101.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yloxaziridine is sourced from PubChem (CID 21280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).