1-(3-Methylbutyl)pyrrolidin-3-one
Basic information
- CAS
919120-46-0- Standard SMILES
CC(C)CCN1CCC(=O)C1- InChIKey
TXWSZLBUADVTGN-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 1-(3-Methylbutyl)pyrrolidin-3-one
- IUPAC
- 1-(3-methylbutyl)pyrrolidin-3-one
Names & synonyms
1-(3-Methylbutyl)pyrrolidin-3-one919120-46-0DTXSID50655822AKOS009455356
Database identifiers
- CAS
919120-46-0- PubChem CID
- 43314769
- DTXSID
DTXSID50655822
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
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Compound notes
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