2-benzyl-3,3-dimethyloxaziridine

C10H13NO — CID 15032732

IUPAC2-benzyl-3,3-dimethyloxaziridine
SMILESCC1(C)ON1Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-10(2)11(12-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFIMPWKWHCPNDNE-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.17
Rot. Bonds2

About 2-benzyl-3,3-dimethyloxaziridine

2-benzyl-3,3-dimethyloxaziridine (PubChem CID 15032732) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-benzyl-3,3-dimethyloxaziridine.

Molecular Properties

Compound Name2-benzyl-3,3-dimethyloxaziridine
PubChem CID15032732
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-benzyl-3,3-dimethyloxaziridine
SMILESCC1(C)ON1Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-10(2)11(12-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFIMPWKWHCPNDNE-UHFFFAOYSA-N
XLogP2.17
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.17
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 2-benzyl-3,3-dimethyloxaziridine?
The IUPAC name of 2-benzyl-3,3-dimethyloxaziridine (CID 15032732) is 2-benzyl-3,3-dimethyloxaziridine.
What is the SMILES notation for 2-benzyl-3,3-dimethyloxaziridine?
The canonical SMILES for 2-benzyl-3,3-dimethyloxaziridine is CC1(C)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3,3-dimethyloxaziridine?
The InChIKey is FIMPWKWHCPNDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)11(12-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzyl-3,3-dimethyloxaziridine?
2-benzyl-3,3-dimethyloxaziridine has a molecular weight of 163.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3-dimethyloxaziridine is sourced from PubChem (CID 15032732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).