1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-

HCID 582596

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CC2CCC1c1ccccc12
InChIKey: JTAWEGXLKGECMT-UHFFFAOYSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-
IUPAC: tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one

Names & synonyms

1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-13153-76-9Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one3,4-Dihydro-1,4-ethanonaphthalen-2(1H)-oneSCHEMBL1432981AKOS024321742rac-(1R*,8R*)-Tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one

Database identifiers

PubChem CID: 582596
Nikkaji: J102.376D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 233

Related reactions

7 records

New reaction record

HRID 104675As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1132922As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1879347As productuspto-grants-2012_11

HRID 1879348As reactantuspto-grants-2012_11

HRID 1967178As reactantuspto-grants-2013_04

HRID 2076270As reactantuspto-grants-2011_04

HRID 2321790As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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