Benzo(h)pyrrolo(1,2-b)isoquinoline, 7,7a,8,9,10,12-hexahydro-

HCID 99972

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Basic information

CAS: 82589-58-0
Standard SMILES: c1ccc2c3c(ccc2c1)CC1CCCN1C3
InChIKey: VKDTZLZOEHGFPH-UHFFFAOYSA-N
Molecular formula: C16H17N
Average molar mass: 223.31 g/mol
Monoisotopic mass: 223.13609955

Names & identifiers

Preferred name: Benzo(h)pyrrolo(1,2-b)isoquinoline, 7,7a,8,9,10,12-hexahydro-
IUPAC: 7,7a,8,9,10,12-hexahydronaphtho[1,2-f]indolizine

Names & synonyms

82589-58-0Benzo(h)pyrrolo(1,2-b)isoquinoline, 7,7a,8,9,10,12-hexahydro-RefChem:10788497,7a,8,9,10,12-Hexahydrobenzo(h)pyrrolo(1,2-b)isoquinolineNSC 297340BRN 4452678NSC2973407,7a,8,9,10,12-hexahydronaphtho[1,2-f]indolizineDTXSID001385071NSC-297340

Database identifiers

CAS: 82589-58-0
PubChem CID: 99972
DTXSID: DTXSID001385071

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 287

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