2-Pyrrolidinecarbonitrile, 1-hydroxy-5,5-dimethyl-
Basic information
- CAS
61856-86-8- Standard SMILES
CC1(C)CCC(C#N)N1O- InChIKey
MNGKMMSRFMNEMU-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- 2-Pyrrolidinecarbonitrile, 1-hydroxy-5,5-dimethyl-
- IUPAC
- 1-hydroxy-5,5-dimethylpyrrolidine-2-carbonitrile
Names & synonyms
61856-86-81-hydroxy-5,5-dimethylpyrrolidine-2-carbonitrile2-Pyrrolidinecarbonitrile, 1-hydroxy-5,5-dimethyl-SCHEMBL8256536DTXSID90473007
Database identifiers
- CAS
61856-86-8- PubChem CID
- 11804841
- DTXSID
DTXSID90473007
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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