Back to Search
Molecule
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
Identifiers
CAS Registry Number
3335-98-6
SMILES
O=C1Cc2ccccc2N1c1ccccc1
InChI Key
OWPNVXATCSXTBK-UHFFFAOYSA-N
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
Names and Synonyms
- 1,3-Dihydro-1-Phenyl-2H-Indol-2-One Systematic Name
- 2H-Indol-2-one, 1,3-dihydro-1-phenyl- Synonym
- 2-Indolinone, 1-phenyl- Synonym
- Oxindole, 1-phenyl- Synonym
- 1,3-Dihydro-1-phenyl-2H-indol-2-one Synonym
- 1-Phenyl-2-indolinone Synonym
- N-Phenyl-2-indolinone Synonym
- 1-Phenyloxindole Synonym
- NSC 234518 Synonym
- 1-Phenyl-1,3-dihydro-2H-indol-2-one Synonym
- N-Phenyloxindole Synonym
- 1-Phenyl-1H-indolin-2-one Synonym
- 1-Phenyl-1,3-dihydro-indol-2-one Synonym
- 1-Phenyl-3H-indol-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.25 g/mol | CAS Common Chemistry |
| 209.248 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.907400000000001 | RDKit |
| 2.9074 | RDKit | |
| Molar Refractivity | 63.73400000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 209.084063972 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 = 209.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11NO.
