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Molecule
1-(1-Cyclohexen-1-Yl)Pyrrolidine
CAS: 1125-99-1 · C10H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1125-99-1
- Molecular Formula
- C10H17N
- Molecular Mass
- 151.25 g/mol
Identifiers
CAS Registry Number
1125-99-1
SMILES
C1=C(N2CCCC2)CCCC1
InChI Key
KTZNVZJECQAMBV-UHFFFAOYSA-N
InChI
InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2
Names and Synonyms
- 1-(1-Cyclohexen-1-Yl)Pyrrolidine Synonym
- Pyrrolidine, 1-(1-cyclohexen-1-yl)- Synonym
- 1-(1-Cyclohexen-1-yl)pyrrolidine Synonym
- 1-Pyrrolidinocyclohexene Synonym
- Cyclohexanone pyrrolidine enamine Synonym
- 1-(1-Pyrrolidinyl)cyclohexene Synonym
- 1-(1-Pyrrolidino)-1-cyclohexene Synonym
- 1-Pyrrolidino-1-cyclohexene Synonym
- N-(1-Cyclohexenyl)pyrrolidine Synonym
- N-(1-Cyclohexen-1-yl)pyrrolidine Synonym
- 1-(1-Cyclohexenyl)pyrrolidine Synonym
- 1-(Pyrrolidine-1-yl)-1-cyclohexene Synonym
- NSC 29652 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.25 g/mol | CAS Common Chemistry |
| 151.253 g/mol | RDKit | |
| Canonical SMILES | C1=C(N2CCCC2)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KTZNVZJECQAMBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | 1-(1-Cyclohexen-1-yl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.5401000000000007 | RDKit |
| 2.5401 | RDKit | |
| Molar Refractivity | 47.35800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 151.136099544 g/mol | RDKit |
| Boiling Point | 107-114 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 151.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H17N.
