Basic information
- CAS
942404-03-7- Standard SMILES
O=C(CCCc1c[nH]c2ccccc12)N1CCCC1- InChIKey
YRLFNTODARKIBF-UHFFFAOYSA-N- Molecular formula
- C16H20N2O
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.15756327
Names & identifiers
- Preferred name
- 4-(1H-indol-3-yl)-1-(pyrrolidin-1-yl)butan-1-one
- IUPAC
- 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
Names & synonyms
4-(1H-indol-3-yl)-1-(pyrrolidin-1-yl)butan-1-oneSCHEMBL5173574DTXSID101241529AKOS008916554942404-03-74-(1H-Indol-3-yl)-1-(1-pyrrolidinyl)-1-butanoneZ27753748
Database identifiers
- CAS
942404-03-7- PubChem CID
- 18108564
- DTXSID
DTXSID101241529
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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