| 2D Structure | |
| CID | 91456 |
| Target | / |
| IUPAC Name | (1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| InChI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1 |
| InChI Key | USMNOWBWPHYOEA-XKSSXDPKSA-N |
| Canonical SMILES | CC1C2CC2(CC1=O)C(C)C |
| Isomeric SMILES | C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.23 |
| synonyms | ['beta-Thujone', '(+)-Thujone', 'Isothujone', '.beta.-Thujone', 'cis-Thujone', '8ZI5R3T54Q', '.BETA.-THUJONE [MI]', 'NSC-67392', '3-isothujone', 'BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,4S,5R)', 'DTXSID20859476', 'EINECS 214-405-7', 'rel-(1R,4R,5S)-1-isopropyl-4-methylbicyclo(3.1.0)hexan-3-one', 'rel-(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one', 'rel-(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one', 'rel-(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one', 'NSC 407281', '3-Thujanone (8CI)', 'beta-thujone, 1S-(1alpha,4beta,5alpha)-isomer', 'beta-thujone, (1S-(1alpha,4alpha,5alpha))-isomer', 'CHEBI:50044', 'DTXCID90209404', 'rel-(1R,4R,5S)-thujan-3-one', '4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-one', '4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one', '(+)-Isothujone', '(+)-3-Thujone', '471-15-8', 'd-Isothujone', '(+)-beta-Thujone', 'D-beta-Thujone', '(1S,4S,5R)-(+)-3-thujanone', 'trans-thujone', 'NSC 67392', '3-Thujanone, (1S,4S,5R)-(+)-', '(1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one', 'CHEBI:50045', '(1s,4s,5r)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one', '[1S-(1alpha,4beta,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one', '(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4S,5R)-thujan-3-one', '(+)-thujan-3-one', 'UNII-8ZI5R3T54Q', 'NSC67392', 'beta Thujone', 'AI3-11501', 'D-beta', 'thujone (trans-)', '(+)-cis-Thujone', '(+)-b-Thujone', 'SCHEMBL337540', '(1S,4S,5R)-thujan-3-one', 'CHEMBL3277898', 'DTXSID7057575', 'USMNOWBWPHYOEA-XKSSXDPKSA-N', '(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one', '(+)-Isothujone ((+)-beta-Thujone)', 'AKOS006240449', 'LMPR0102120039', 'Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S-(1-alpha,4-beta,5-alpha))-', 'NS00076400', 'C20260', 'Q27121861'] |
From Pubchem