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Molecule
Naphtholactam
CAS: 130-00-7 · C11H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 130-00-7
- Molecular Formula
- C11H7NO
- Molecular Mass
- 169.18 g/mol
Identifiers
CAS Registry Number
130-00-7
SMILES
OC1=Nc2cccc3cccc1c23
InChI Key
GPYLCFQEKPUWLD-UHFFFAOYSA-N
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)
Names and Synonyms
- Naphtholactam Synonym
- Benz[cd]indol-2(1H)-one Synonym
- Naphthostyril Synonym
- 2(1H)-peri-Naphthazolone Synonym
- 2(1H)-Perinaphthazolone Synonym
- 1-Naphthalenecarboxylic acid, 8-amino-, lactam Synonym
- Naphtholactam Synonym
- 1,8-Naphtholactam Synonym
- NSC 25094 Synonym
- Benz[c,d]indole-2(1H)-one Synonym
- 1H-Benzo[cd]indol-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.18 g/mol | CAS Common Chemistry |
| 169.18299999999996 g/mol | RDKit | |
| 169.183 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 |
| 2.7895 | RDKit | |
| Molar Refractivity | 52.773800000000016 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 169.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 169.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H7NO.
