Basic information
- CAS
1809-65-0- Standard SMILES
CC(C)=CC[N+](=O)[O-]- InChIKey
SQASFLRNNKURAK-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 3-Methyl-1-nitrobut-2-ene
- IUPAC
- 3-methyl-1-nitrobut-2-ene
Names & synonyms
3-Methyl-1-nitrobut-2-ene1809-65-0DTXSID00336598RefChem:280642DTXCID50287687SQASFLRNNKURAK-UHFFFAOYSA-N3-Methyl-1-nitro-2-butene #SCHEMBL10949781
Database identifiers
- CAS
1809-65-0- PubChem CID
- 534892
- DTXSID
DTXSID00336598- Nikkaji
- J2.553.456E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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