chempirical

Benz(cd)indol-2(1H)-one

C11H7NOCAS 130-00-7169.18 g/mol

Open in Covalent MOL file
OHN
AmideLactam

Properties

Molecular formula
C11H7NO
Molar mass
169.18 g/mol
Exact mass
169.0528 Da
Melting point
181 °C
logP
2.79Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
130-00-7
SMILES
OC1=Nc2cccc3cccc1c23
InChIKey
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)

Weigh it out

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Names and synonyms

10 names
  • Naphtholactam
  • Benz[cd]indol-2(1H)-one
  • Naphthostyril
  • 2(1H)-Peri-Naphthazolone
  • 2(1H)-Perinaphthazolone
  • 1-Naphthalenecarboxylic acid, 8-amino-, lactam
  • 1,8-Naphtholactam
  • NSC 25094
  • Benz[c,d]indole-2(1H)-one
  • 1H-Benzo[cd]indol-2-one

Work with Benz(cd)indol-2(1H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Naphthalimide81-83-459 % similar 1-Naphthylphthalamic acid132-66-150 % similar 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide132-68-347 % similar Dibenzo[b,f][1,4]thiazepin-11(10H)-one3159-07-747 % similar Acenaphthoquinone82-86-043 % similar 1-Naphthoic hydrazide43038-45-542 % similar 3-Hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide135-61-541 % similar N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide6358-02-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Naphthyl isocyanate2243-54-1 6-Hydroxy-2-naphthonitrile52927-22-7 1-Naphthyl isocyanate86-84-0

Elsewhere

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