5H-Pyrido(4,3-b)indole, 1-methyl-3-nitroso-

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Basic information

CAS: 74317-46-7
Standard SMILES: Cc1nc(N=O)cc2[nH]c3ccccc3c12
InChIKey: JABBZWZOVYNGAJ-UHFFFAOYSA-N
Molecular formula: C12H9N3O
Average molar mass: 211.22 g/mol
Monoisotopic mass: 211.07456192

Names & identifiers

Preferred name: 5H-Pyrido(4,3-b)indole, 1-methyl-3-nitroso-
IUPAC: 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole

Names & synonyms

Trp-P-2 nitroso derivative5H-Pyrido(4,3-b)indole, 1-methyl-3-nitroso-1-Methyl-3-nitroso-5H-pyrido(4,3-b)indole1-methyl-3-nitroso-5H-pyrido[4,3-b]indole3-Nitroso-1-methyl-5H-pyrido(4,3-b)indole74317-46-7DTXSID802253303-nitroso-1-methyl-5h-pyrido[4,3-b]indoleRefChem:305764DTXCID80147821

Database identifiers

CAS: 74317-46-7
PubChem CID: 5487755
DTXSID: DTXSID80225330
Nikkaji: J66.644K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 283

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Compound notes

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