5-(Methoxymethylene)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Basic information
- Standard SMILES
COC=C1CCCc2c(C#N)cccc21- InChIKey
XSOMRBHMWUXVRM-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 5-(Methoxymethylene)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
- IUPAC
- 5-(methoxymethylidene)-7,8-dihydro-6H-naphthalene-1-carbonitrile
Names & synonyms
SCHEMBL16107346XSOMRBHMWUXVRM-UHFFFAOYSA-N5-(Methoxymethylene)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Database identifiers
- PubChem CID
- 117599331
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
2 records
Compound notes
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