2-methyl-3-propan-2-yloxyaziridine

C6H13NO — CID 88623461

IUPAC2-methyl-3-propan-2-yloxyaziridine
SMILESCC(C)OC1NC1C
InChIInChI=1S/C6H13NO/c1-4(2)8-6-5(3)7-6/h4-7H,1-3H3
InChIKeyDPAAGPWYKJKIJU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.73
Rot. Bonds2

About 2-methyl-3-propan-2-yloxyaziridine

2-methyl-3-propan-2-yloxyaziridine (PubChem CID 88623461) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxyaziridine.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxyaziridine
PubChem CID88623461
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-methyl-3-propan-2-yloxyaziridine
SMILESCC(C)OC1NC1C
InChIInChI=1S/C6H13NO/c1-4(2)8-6-5(3)7-6/h4-7H,1-3H3
InChIKeyDPAAGPWYKJKIJU-UHFFFAOYSA-N
XLogP0.73
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
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-methyl-3-propan-2-yloxyaziridine?
The IUPAC name of 2-methyl-3-propan-2-yloxyaziridine (CID 88623461) is 2-methyl-3-propan-2-yloxyaziridine.
What is the SMILES notation for 2-methyl-3-propan-2-yloxyaziridine?
The canonical SMILES for 2-methyl-3-propan-2-yloxyaziridine is CC(C)OC1NC1C.
What is the InChIKey of 2-methyl-3-propan-2-yloxyaziridine?
The InChIKey is DPAAGPWYKJKIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4(2)8-6-5(3)7-6/h4-7H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yloxyaziridine?
2-methyl-3-propan-2-yloxyaziridine has a molecular weight of 115.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxyaziridine is sourced from PubChem (CID 88623461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).