Basic information
- CAS
64252-04-6- Standard SMILES
CC(=Cc1c(C)[nH]c2ccccc12)[N+](=O)[O-]- InChIKey
FDHGIPHZIMTTQC-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- AC1Ndt9T
- IUPAC
- 2-methyl-3-(2-nitroprop-1-enyl)-1H-indole
Names & synonyms
AC1NDT9T64252-04-6DTXSID00404807RefChem:314070DTXCID80355661Oprea1_0945222-methyl-3-(2'-methyl-2'-nitrovinyl)indole2-Methyl-3-(2-nitroprop-1-en-1-yl)-1H-indole
Database identifiers
- CAS
64252-04-6- PubChem CID
- 4606646
- DTXSID
DTXSID00404807
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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