4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-

HCID 27962

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Basic information

CAS: 16609-40-8
Standard SMILES: O=C1NC(=O)C23CC=CCC12CC=CC3
InChIKey: QXFLJTZDJRFOKL-UHFFFAOYSA-N
Molecular formula: C12H13NO2
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.09462866

Names & identifiers

Preferred name: 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
IUPAC: 12-azatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione

Names & synonyms

BRN 15314981,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboximide16609-40-8DTXSID201680751,4,5,8-Tetrahydro-4a,8a-(methaniminomethano)naphhlalene-9,11-dione4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-4a,8a-NAPHTHALENEDICARBOXIMIDE, 1,4,5,8-TETRAHYDRO-4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-(9CI)RefChem:296703DTXCID80905664a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- (9CI)1,4,5,8-Tetrahydro-4a,8a-(methanoiminomethano)naphthalene-9,11-dione

Database identifiers

CAS: 16609-40-8
PubChem CID: 27962
DTXSID: DTXSID20168075
Nikkaji: J90.810J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 352

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