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Molecule
Cyclopenta[C]Pyrrole, Octahydro-, Hydrochloride (1:1)
CAS: 112626-50-3 · C7H14ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112626-50-3
- Molecular Formula
- C7H14ClN
- Molecular Mass
- 147.65 g/mol
Identifiers
CAS Registry Number
112626-50-3
SMILES
C1CC2CNCC2C1.Cl
InChI Key
HVZRRRPCVOJOLJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H
Names and Synonyms
- Cyclopenta[C]Pyrrole, Octahydro-, Hydrochloride (1:1) Synonym
- Cyclopenta[c]pyrrole, octahydro-, hydrochloride (1:1) Synonym
- Cyclopenta[c]pyrrole, octahydro-, hydrochloride Synonym
- 3-Azabicyclo[3.3.0]octane hydrochloride Synonym
- Octahydrocyclopenta[c]pyrrole hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.65 g/mol | CAS Common Chemistry |
| 147.649 g/mol | RDKit | |
| 147.646 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1CC2CCCC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HVZRRRPCVOJOLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopenta[c]pyrrole, octahydro-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.4277 | RDKit |
| Molar Refractivity | 40.94870000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.081477128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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 = 147.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14ClN.
