Back to Search
Molecule
2-(3-Furanyl)Pyrrolidine
CAS: 383127-25-1 · C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 383127-25-1
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
383127-25-1
SMILES
c1cc(C2CCCN2)co1
InChI Key
SOXFRHPXNDULKD-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2
Names and Synonyms
- 2-(3-Furanyl)Pyrrolidine Synonym
- Pyrrolidine, 2-(3-furanyl)- Synonym
- 2-(3-Furanyl)pyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.182 g/mol | RDKit | |
| Canonical SMILES | O1C=CC(=C1)C2NCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SOXFRHPXNDULKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(3-Furanyl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 25.17 Ų | RDKit |
| LogP | 1.7041 | RDKit |
| 1.77 | chempirical lib | |
| Molar Refractivity | 38.685700000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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
Convert
Quick conversion
MW = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
