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Molecule
1-(1-Cyclopenten-1-Yl)Pyrrolidine
CAS: 7148-07-4 · C9H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7148-07-4
- Molecular Formula
- C9H15N
- Molecular Mass
- 137.23 g/mol
Identifiers
CAS Registry Number
7148-07-4
SMILES
C1=C(N2CCCC2)CCC1
InChI Key
KOFSFYBXUYHNJL-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2
Names and Synonyms
- 1-(1-Cyclopenten-1-Yl)Pyrrolidine Synonym
- Pyrrolidine, 1-(1-cyclopenten-1-yl)- Synonym
- 1-(1-Cyclopenten-1-yl)pyrrolidine Synonym
- 1-Pyrrolidinocyclopentene Synonym
- 1-(Cyclopent-1′-enyl)pyrrolidine Synonym
- 1-Cyclopentenylpyrrolidine Synonym
- 1-(1-Pyrrolidinyl)-1-cyclopentene Synonym
- 1-(1-Pyrrolidinyl)cyclopentene Synonym
- N-(1-Cyclopenten-1-yl)pyrrolidine Synonym
- 1-(1-Cyclopentenyl)pyrrolidine Synonym
- Cyclopentanone pyrrolidine enamine Synonym
- 1-Pyrrolidinylcyclopentene Synonym
- N-(1-Cyclopentenyl)pyrrolidine Synonym
- NSC 29653 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.23 g/mol | CAS Common Chemistry |
| 137.226 g/mol | RDKit | |
| Canonical SMILES | C1=C(N2CCCC2)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KOFSFYBXUYHNJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Cyclopenten-1-yl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.1500000000000004 | RDKit |
| 2.15 | RDKit | |
| Molar Refractivity | 42.74100000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 137.12044948 g/mol | RDKit |
| Boiling Point | 101-102 °C @ 22 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 137.23 g/mol. Edit any field — others recompute live.
