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Naphtholactam
CAS: 130-00-7 | C11H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
130-00-7
Molecular Formula:
C11H7NO
Molecular Mass:
169.18 g/mol
Names and Synonyms:
Naphtholactam
Benz[cd]indol-2(1H)-one
Naphthostyril
2(1H)-peri-Naphthazolone
2(1H)-Perinaphthazolone
1-Naphthalenecarboxylic acid, 8-amino-, lactam
Naphtholactam
1,8-Naphtholactam
NSC 25094
Benz[c,d]indole-2(1H)-one
1H-Benzo[cd]indol-2-one
Identifiers:
SMILES:
OC1=Nc2cccc3cccc1c23
InChI:
InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
Key Properties
Melting Point
181 °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 | 169.18 g/mol | CAS Common Chemistry |
| 169.18299999999996 g/mol | RDKit | |
| 169.052763844 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphtholactam | CAS Common Chemistry |
| Canonical SMILES | O=C1NC=2C=CC=C3C=CC=C1C32 | CAS Common Chemistry |
| InChI | InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=GPYLCFQEKPUWLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181 °C | CAS Common Chemistry |
| Name | Benz[cd]indol-2(1H)-one | CAS Common Chemistry |
| Naphtholactam | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.789500000000001 | RDKit |
| Molar Refractivity | 52.773800000000016 | RDKit |
