2-(cyclopropylmethyl)-3-phenyloxaziridine

C11H13NO — CID 18541875

IUPAC2-(cyclopropylmethyl)-3-phenyloxaziridine
SMILESc1ccc(C2ON2CC2CC2)cc1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)11-12(13-11)8-9-6-7-9/h1-5,9,11H,6-8H2
InChIKeyZTIBZWVSYJJDMM-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.34
Rot. Bonds3

About 2-(cyclopropylmethyl)-3-phenyloxaziridine

2-(cyclopropylmethyl)-3-phenyloxaziridine (PubChem CID 18541875) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-phenyloxaziridine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-phenyloxaziridine
PubChem CID18541875
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(cyclopropylmethyl)-3-phenyloxaziridine
SMILESc1ccc(C2ON2CC2CC2)cc1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)11-12(13-11)8-9-6-7-9/h1-5,9,11H,6-8H2
InChIKeyZTIBZWVSYJJDMM-UHFFFAOYSA-N
XLogP2.34
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.34
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-(cyclopropylmethyl)-3-phenyloxaziridine?
The IUPAC name of 2-(cyclopropylmethyl)-3-phenyloxaziridine (CID 18541875) is 2-(cyclopropylmethyl)-3-phenyloxaziridine.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-phenyloxaziridine?
The canonical SMILES for 2-(cyclopropylmethyl)-3-phenyloxaziridine is c1ccc(C2ON2CC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-phenyloxaziridine?
The InChIKey is ZTIBZWVSYJJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10(5-3-1)11-12(13-11)8-9-6-7-9/h1-5,9,11H,6-8H2.
What are the key properties of 2-(cyclopropylmethyl)-3-phenyloxaziridine?
2-(cyclopropylmethyl)-3-phenyloxaziridine has a molecular weight of 175.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-phenyloxaziridine is sourced from PubChem (CID 18541875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).