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1-Methyl-1,3-Dihydroindol-2-One
CAS: 61-70-1 | C9H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61-70-1
Molecular Formula:
C9H9NO
Molecular Mass:
147.18 g/mol
Names and Synonyms:
1-Methyl-1,3-Dihydroindol-2-One
2H-Indol-2-one, 1,3-dihydro-1-methyl-
2-Indolinone, 1-methyl-
Oxindole, 1-methyl-
1,3-Dihydro-1-methyl-2H-indol-2-one
N-Methyloxindole
N-Methyl-2-indolinone
Ba 2777
1-Methyloxindole
N-Methylindol-2(3H)-one
1-Methyl-2-indolinone
1-Methyl-2-oxindole
1-Methyl-1,3-dihydroindol-2-one
1-Methylindol-2(3H)-one
1-Methyl-2-indolone
NSC 97219
1-Methyl-1H-indolin-2-one
N-Methyl-2-oxindole
1-Methyl-3H-indol-2-one
1-Methyl-2,3-dihydro-1H-indol-2-one
Identifiers:
SMILES:
CN1C(=O)Cc2ccccc21
InChI:
InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
Key Properties
Boiling Point
110-120 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
88 °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 | 147.18 g/mol | CAS Common Chemistry |
| 147.177 g/mol | RDKit | |
| 147.068413908 g/mol | RDKit | |
| Boiling Point | 110-120 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RSQUAQMIGSMNNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | 1-Methyl-1,3-dihydroindol-2-one | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.2055 | RDKit |
| Molar Refractivity | 43.556000000000026 | RDKit |
