(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

C187H362N16O9S — CID 160581637

About (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

(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 (PubChem CID 160581637) has the molecular formula C187H362N16O9S and a molecular weight of 3011.12 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 160581637
• Molecular Formula: C187H362N16O9S
• Molecular Weight: 3011.12 g/mol
• Exact Mass: 3008.81
• IUPAC Name: (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
• SMILES: C1CC2(C1)CNC2.C1CC2(C1)COC2.C1CCN2CCC2C1.C1CCNC1.C1CCOC1.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)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.O=C1CCCC2CCCN12.O=C1CNCC2CCCN12.O=C1CNCc2cccn21.O=S1(=O)CCCC1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)NCCO2.c1cnc2c(c1)CCCC2.c1nc2c(o1)CCCC2
• InChI: InChI=1S/C9H17N.2C9H11N.C8H13NO.C8H9NO.C7H12N2O.C7H8N2O.C7H9NO.4C7H13N.C6H11N.C6H10O.7C5H12.C4H9N.C4H8O2S.C4H8O.9C4H10/c1-9(2,3)10-5-7-4-8(7)6-10;2*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;7*1-5(2,3)4;1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;9*1-4(2)3/h7-8H,4-6H2,1-3H3;3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;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;7*1-4H3;5H,1-4H2;1-4H2;1-4H2;9*4H,1-3H3/t;;;;;;;;2*6-,7+;6-,7-;;;;;;;;;;;;;;;;;;;;;;/m..........0....................../s1
• InChIKey: RBWBIJOZVDTQHV-GGVZCMPCSA-N
• XLogP: 46.80
• TPSA: 278.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3011.12
LogP ≤ 5	46.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is C1CC2(C1)CNC2.C1CC2(C1)COC2.C1CCN2CCC2C1.C1CCNC1.C1CCOC1.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)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.O=C1CCCC2CCCN12.O=C1CNCC2CCCN12.O=C1CNCc2cccn21.O=S1(=O)CCCC1.c1ccc2c(c1)CCCN2.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((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?

The InChIKey is RBWBIJOZVDTQHV-GGVZCMPCSA-N. The full InChI is InChI=1S/C9H17N.2C9H11N.C8H13NO.C8H9NO.C7H12N2O.C7H8N2O.C7H9NO.4C7H13N.C6H11N.C6H10O.7C5H12.C4H9N.C4H8O2S.C4H8O.9C4H10/c1-9(2,3)10-5-7-4-8(7)6-10;2*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;7*1-5(2,3)4;1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;9*1-4(2)3/h7-8H,4-6H2,1-3H3;3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;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;7*1-4H3;5H,1-4H2;1-4H2;1-4H2;9*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((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?

(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 has a molecular weight of 3011.12 g/mol, XLogP of 46.80, 0 rotatable bonds, 9 hydrogen bond donors, and 23 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((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 is sourced from PubChem (CID 160581637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).