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Pyroquilon
CAS: 57369-32-1 | C11H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57369-32-1
Molecular Formula:
C11H11NO
Molecular Mass:
173.22 g/mol
Names and Synonyms:
Pyroquilon
4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro-
1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Pyroquilone
CGA 49104
4-Lilolidone
Fongorene
CG 114
Coratop
Fungorene
Pyroquilon
4-Oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline
1,2,5,6-Tetrahydropyrrolo[3,2,1-ij]quinolin-4-one
5,6-Dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one
Identifiers:
SMILES:
O=C1CCc2cccc3c2N1CC3
InChI:
InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
Key Properties
Melting Point
112 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.22 g/mol | CAS Common Chemistry |
| 173.21499999999995 g/mol | RDKit | |
| 173.084063972 g/mol | RDKit | |
| Canonical SMILES | O=C1N2C=3C(=CC=CC3CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XRJLAOUDSILTFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112 °C | CAS Common Chemistry |
| Name | Pyroquilon | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.5219 | RDKit |
| Molar Refractivity | 50.82000000000003 | RDKit |
