(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide

C199H399N17O10S — CID 163548390

IUPAC(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
SMILESC1CC2(C1)CNC2.C1CC2(C1)COC2.C1CCN2CCC2C1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@H]2CCN[C@H]2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=C1CCCC2CCCN12.O=C1CNCC2CCCN12.O=C1CNCc2cccn21.O=S1(=O)CCCC1.c1ccc2c(c1)NCCO2.c1cnc2c(c1)CCCC2.c1nc2c(o1)CCCC2
InChIInChI=1S/C9H17N.C9H11N.C8H13NO.C8H9NO.C7H12N2O.C7H8N2O.C7H9NO.4C7H13N.C6H11N.C6H10O.C5H11N.C5H10O.6C5H12.2C4H9N.C4H8O2S.C4H8O.12C4H10/c1-9(2,3)10-5-7-4-8(7)6-10;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-1-3-7-4-2-6-9(7)8;1-2-4-8-7(3-1)9-5-6-10-8;2*10-7-5-8-4-6-2-1-3-9(6)7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-8-7(6)3-1;1-2-5-8-6-4-7(8)3-1;2*1-2-6(3-1)4-7-5-6;2*1-2-4-6-5-3-1;6*1-5(2,3)4;2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;12*1-4(2)3/h7-8H,4-6H2,1-3H3;3,5,7H,1-2,4,6H2;7H,1-6H2;1-4,9H,5-6H2;6,8H,1-5H2;1-3,8H,4-5H2;5H,1-4H2;3*6-8H,1-5H2;7H,1-6H2;7H,1-5H2;1-5H2;6H,1-5H2;1-5H2;6*1-4H3;2*5H,1-4H2;1-4H2;1-4H2;12*4H,1-3H3/t;;;;;;;2*6-,7+;6-,7-;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.........0.........................../s1
InChIKeyFGZHFLMIVDOOIL-LHPXSJAZSA-N
MW3222.56 g/mol
LogP50.01
Rot. Bonds

About (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide

(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide (PubChem CID 163548390) has the molecular formula C199H399N17O10S and a molecular weight of 3222.56 g/mol. Its IUPAC name is (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
PubChem CID163548390
Molecular FormulaC199H399N17O10S
Molecular Weight3222.56 g/mol
Exact Mass3220.10
IUPAC Name(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
SMILESC1CC2(C1)CNC2.C1CC2(C1)COC2.C1CCN2CCC2C1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@H]2CCN[C@H]2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=C1CCCC2CCCN12.O=C1CNCC2CCCN12.O=C1CNCc2cccn21.O=S1(=O)CCCC1.c1ccc2c(c1)NCCO2.c1cnc2c(c1)CCCC2.c1nc2c(o1)CCCC2
InChIInChI=1S/C9H17N.C9H11N.C8H13NO.C8H9NO.C7H12N2O.C7H8N2O.C7H9NO.4C7H13N.C6H11N.C6H10O.C5H11N.C5H10O.6C5H12.2C4H9N.C4H8O2S.C4H8O.12C4H10/c1-9(2,3)10-5-7-4-8(7)6-10;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-1-3-7-4-2-6-9(7)8;1-2-4-8-7(3-1)9-5-6-10-8;2*10-7-5-8-4-6-2-1-3-9(6)7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-8-7(6)3-1;1-2-5-8-6-4-7(8)3-1;2*1-2-6(3-1)4-7-5-6;2*1-2-4-6-5-3-1;6*1-5(2,3)4;2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;12*1-4(2)3/h7-8H,4-6H2,1-3H3;3,5,7H,1-2,4,6H2;7H,1-6H2;1-4,9H,5-6H2;6,8H,1-5H2;1-3,8H,4-5H2;5H,1-4H2;3*6-8H,1-5H2;7H,1-6H2;7H,1-5H2;1-5H2;6H,1-5H2;1-5H2;6*1-4H3;2*5H,1-4H2;1-4H2;1-4H2;12*4H,1-3H3/t;;;;;;;2*6-,7+;6-,7-;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.........0.........................../s1
InChIKeyFGZHFLMIVDOOIL-LHPXSJAZSA-N
XLogP50.01
TPSA299.38 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003222.56
LogP ≤ 550.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide with MolForge

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
CID 158029274
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);decakis(2-methylpropane);2-oxaspiro[3.3]heptane;oxolane;pyrrolidine;4,5,6,7-tetrahydro-1,3-benzoxazole;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
CID 158660976
(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;heptakis(2,2-dimethylpropane);nonakis(2-methylpropane);2-oxaspiro[3.3]heptane;oxolane;pyrrolidine;4,5,6,7-tetrahydro-1,3-benzoxazole;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
CID 160581637
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;heptakis(2,2-dimethylpropane);nonakis(2-methylpropane);2-oxaspiro[3.3]heptane;oxolane;pyrrolidine;4,5,6,7-tetrahydro-1,3-benzoxazole;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
CID 160581638
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;heptakis(2,2-dimethylpropane);ethane;nonakis(2-methylpropane);2-oxaspiro[3.3]heptane;oxolane;pyrrolidine;4,5,6,7-tetrahydro-1,3-benzoxazole;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide
CID 164989066

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide?
The IUPAC name of (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide (CID 163548390) is (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide.
What is the SMILES notation for (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide?
The canonical SMILES for (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide is C1CC2(C1)CNC2.C1CC2(C1)COC2.C1CCN2CCC2C1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@@H]2CNC[C@@H]2C1.C1C[C@H]2CCN[C@H]2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=C1CCCC2CCCN12.O=C1CNCC2CCCN12.O=C1CNCc2cccn21.O=S1(=O)CCCC1.c1ccc2c(c1)NCCO2.c1cnc2c(c1)CCCC2.c1nc2c(o1)CCCC2.
What is the InChIKey of (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide?
The InChIKey is FGZHFLMIVDOOIL-LHPXSJAZSA-N. The full InChI is InChI=1S/C9H17N.C9H11N.C8H13NO.C8H9NO.C7H12N2O.C7H8N2O.C7H9NO.4C7H13N.C6H11N.C6H10O.C5H11N.C5H10O.6C5H12.2C4H9N.C4H8O2S.C4H8O.12C4H10/c1-9(2,3)10-5-7-4-8(7)6-10;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-1-3-7-4-2-6-9(7)8;1-2-4-8-7(3-1)9-5-6-10-8;2*10-7-5-8-4-6-2-1-3-9(6)7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-8-7(6)3-1;1-2-5-8-6-4-7(8)3-1;2*1-2-6(3-1)4-7-5-6;2*1-2-4-6-5-3-1;6*1-5(2,3)4;2*1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;12*1-4(2)3/h7-8H,4-6H2,1-3H3;3,5,7H,1-2,4,6H2;7H,1-6H2;1-4,9H,5-6H2;6,8H,1-5H2;1-3,8H,4-5H2;5H,1-4H2;3*6-8H,1-5H2;7H,1-6H2;7H,1-5H2;1-5H2;6H,1-5H2;1-5H2;6*1-4H3;2*5H,1-4H2;1-4H2;1-4H2;12*4H,1-3H3/t;;;;;;;2*6-,7+;6-,7-;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.........0.........................../s1.
What are the key properties of (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide?
(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide has a molecular weight of 3222.56 g/mol, XLogP of 50.01, 0 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;bis((3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole);2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one;1-azabicyclo[4.2.0]octane;2-azaspiro[3.3]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-one;hexakis(2,2-dimethylpropane);dodecakis(2-methylpropane);oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;bis(pyrrolidine);4,5,6,7-tetrahydro-1,3-benzoxazole;5,6,7,8-tetrahydroquinoline;thiolane 1,1-dioxide is sourced from PubChem (CID 163548390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).