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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione , 3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione , 3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-quinone
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| Smiles: |
CC(C[C@@H]1NC(=O)[C@@H]2N(C1=O)CCC2)C
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| InChi : |
InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m0/s1
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| InChi Key : |
InChIKey=SZJNCZMRZAUNQT-DTWKUNHWSA-N
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| PubChem ID : |
102892
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
9.565980
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.564
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| XLogP : |
1.485
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VDW volume : |
208.400429
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| Molecular weight : |
210.136828
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HOMO-LUMO gap : |
10.342000
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| Herb list : |
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| Refrences & Litretures: |
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