Basic information
- CAS
6112-09-0- Standard SMILES
Cc1cccc(-n2c(C)cc(/C=N/O)c2C)c1- InChIKey
YBPSQTGOFKLHOX-OQLLNIDSSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- (E)-1-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N-hydroxymethanimine
- IUPAC
- (NE)-N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]hydroxylamine
Names & synonyms
STK197581(E)-1-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]-N-hydroxymethanimineMLS0005725252,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde oximeCHEMBL3199021DTXSID30417425N-{(E)-[2,5-Dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}hydroxylamineAKOS000325274SMR000194024SR-01000226621SR-01000226621-1
Database identifiers
- CAS
6112-09-0- PubChem CID
- 5347409
- DTXSID
DTXSID30417425- ChEMBL
CHEMBL3199021
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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