Basic information
- CAS
30634-66-3- Standard SMILES
COCc1cncc2c1CCC2C- InChIKey
ZRJLCVQCZVXUFB-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Overview
See also: Valerianine (annotation moved to).
Names & identifiers
- Preferred name
- Valerianin
- IUPAC
- 4-(methoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
Names & synonyms
valerianin(-)-Valerianine(S)-ValerianineSCHEMBL29466798
Database identifiers
- CAS
30634-66-3- PubChem CID
- 182008
- Nikkaji
- J2.369.861G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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