Basic information
- CAS
18205-60-2- Standard SMILES
C1=CCC(=CN2CCCC2)CC1- InChIKey
KIEOJVRTCDEYFN-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(3-cyclohexen-1-ylidenemethyl)-
- IUPAC
- 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine
- English name
- 1-(3-Cyclohexen-1-ylidenemethyl)pyrrolidine
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
18205-60-2DTXSID20344337Pyrrolidine, 1-(3-cyclohexen-1-ylidenemethyl)-RefChem:378010DTXCID802954121-(3-Cyclohexen-1-ylidenemethyl)pyrrolidine1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidineSCHEMBL111260231-[(cyclohex-3-en-1-ylidene)methyl]pyrrolidine
Database identifiers
- CAS
18205-60-2- PubChem CID
- 596041
- DTXSID
DTXSID20344337
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 18 Torr)
- Density
- 1.069 · 1.069±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.321 · 8.321±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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