2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
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Basic information
- Standard SMILES
C=CCCN1CCc2c([nH]c3ccccc23)C1C(=O)O- InChIKey
WCYRVEUBPWKGDX-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- 2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
- IUPAC
- 2-but-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
Names & synonyms
NCI60_005936CHEMBL2009836
Database identifiers
- PubChem CID
- 359309
- ChEMBL
CHEMBL2009836
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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