(3S)-3-phenyloxaziridine

C7H7NO — CID 143593965

IUPAC(3S)-3-phenyloxaziridine
SMILESc1ccc([C@H]2NO2)cc1
InChIInChI=1S/C7H7NO/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7-8H/t7-/m0/s1
InChIKeyNIFWBIZUAZVUMO-ZETCQYMHSA-N
MW121.14 g/mol
LogP1.22
Rot. Bonds1

About (3S)-3-phenyloxaziridine

(3S)-3-phenyloxaziridine (PubChem CID 143593965) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (3S)-3-phenyloxaziridine.

Molecular Properties

Compound Name(3S)-3-phenyloxaziridine
PubChem CID143593965
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(3S)-3-phenyloxaziridine
SMILESc1ccc([C@H]2NO2)cc1
InChIInChI=1S/C7H7NO/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7-8H/t7-/m0/s1
InChIKeyNIFWBIZUAZVUMO-ZETCQYMHSA-N
XLogP1.22
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.22
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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Related Compounds

3-phenyloxaziridine
CID 18523120
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
4-(oxaziridin-3-yl)benzenesulfinic acid
CID 174706746
nickel;2-(oxaziridin-3-yl)phenol
CID 174498524
(4E)-4-(dimethylaminomethylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 110273223
4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 2754378
5,5-dimethyl-2-phenyl-1,3-oxazolidine
CID 82280589
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(4S)-4-phenyl-1,3-oxazolidine
CID 54050063
(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 102169361
2-phenyl-1,3-oxazolidine-4-carbothialdehyde
CID 141379634

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyloxaziridine?
The IUPAC name of (3S)-3-phenyloxaziridine (CID 143593965) is (3S)-3-phenyloxaziridine.
What is the SMILES notation for (3S)-3-phenyloxaziridine?
The canonical SMILES for (3S)-3-phenyloxaziridine is c1ccc([C@H]2NO2)cc1.
What is the InChIKey of (3S)-3-phenyloxaziridine?
The InChIKey is NIFWBIZUAZVUMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7-8H/t7-/m0/s1.
What are the key properties of (3S)-3-phenyloxaziridine?
(3S)-3-phenyloxaziridine has a molecular weight of 121.14 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyloxaziridine is sourced from PubChem (CID 143593965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).