4-(3-Methyl-1,3-oxazolidin-2-yl)benzonitrile

HCID 55035

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Basic information

CAS: 83522-09-2
Standard SMILES: CN1CCOC1c1ccc(C#N)cc1
InChIKey: NTSPYEPVJAJWIJ-UHFFFAOYSA-N
Molecular formula: C11H12N2O
Average molar mass: 188.23 g/mol
Monoisotopic mass: 188.09496301

Names & identifiers

Preferred name: 4-(3-Methyl-1,3-oxazolidin-2-yl)benzonitrile
IUPAC: 4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile

Names & synonyms

4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile83522-09-2DTXSID101003511RefChem:1069899DTXCID101430423p-(3-Methyl-2-oxazolidinyl)benzonitrileBRN 5520070BENZONITRILE, p-(3-METHYL-2-OXAZOLIDINYL)-

Database identifiers

CAS: 83522-09-2
PubChem CID: 55035
DTXSID: DTXSID101003511
Nikkaji: J87.870G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 237

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