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1,3-Dihydro-1-Phenyl-2H-Indol-2-One
CAS: 3335-98-6 | C14H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3335-98-6
Molecular Formula:
C14H11NO
Molecular Mass:
209.25 g/mol
Names and Synonyms:
1,3-Dihydro-1-Phenyl-2H-Indol-2-One
2H-Indol-2-one, 1,3-dihydro-1-phenyl-
2-Indolinone, 1-phenyl-
Oxindole, 1-phenyl-
1,3-Dihydro-1-phenyl-2H-indol-2-one
1-Phenyl-2-indolinone
N-Phenyl-2-indolinone
1-Phenyloxindole
NSC 234518
1-Phenyl-1,3-dihydro-2H-indol-2-one
N-Phenyloxindole
1-Phenyl-1H-indolin-2-one
1-Phenyl-1,3-dihydro-indol-2-one
1-Phenyl-3H-indol-2-one
Identifiers:
SMILES:
O=C1Cc2ccccc2N1c1ccccc1
InChI:
InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
Key Properties
Melting Point
120.5-121 °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 | 209.25 g/mol | CAS Common Chemistry |
| 209.248 g/mol | RDKit | |
| 209.084063972 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C=2C=CC=CC2)C=3C=CC=CC3C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OWPNVXATCSXTBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120.5-121 °C | CAS Common Chemistry |
| Name | 1,3-Dihydro-1-phenyl-2H-indol-2-one | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.907400000000001 | RDKit |
| Molar Refractivity | 63.73400000000003 | RDKit |
