4-[4-Hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
Basic information
- Standard SMILES
N#CCCCN1CC(O)CC1CO- InChIKey
MSQYXNOBRGQHMI-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Names & identifiers
- Preferred name
- 4-[4-Hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
- IUPAC
- 4-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
Database identifiers
- PubChem CID
- 21100528
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
1 records
Compound notes
Loading…