1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine

C242H387N33O22S4 — CID 161113072

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine (PubChem CID 161113072) has the molecular formula C242H387N33O22S4 and a molecular weight of 4239.23 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
• PubChem CID: 161113072
• Molecular Formula: C242H387N33O22S4
• Molecular Weight: 4239.23 g/mol
• Exact Mass: 4235.91
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine
• SMILES: C1=CCNCC1.C1=CCOCC1.C1=CNCCC1.C1=Cc2cccnc2C1.C1=Nc2ccccc2C1.C1CC1.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)COC2.C1CC2(CCO1)CNC2.C1CC2CC1CN2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCNCC1.C1CCOC1.C1CCOCC1.C1CNCCNC1.C1CNCCOC1.C1COCCN1.C1COCCO1.NC1CC1.NC1COC1.O=C1CNCCN1.O=S1(=O)CCCNCC1.O=S1(=O)CCNCC1.OC1CCNCC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2occc2c1.c1cnc2sccc2c1
• InChI: InChI=1S/C10H13N.C9H17NO.C9H11NO.C9H7N.C9H10.C8H9N.C8H7N.C8H15N.C8H7N.2C7H13NO.2C7H5NO.2C7H5NS.2C7H13N.2C6H11NO.C6H11N.C6H13N.C6H12.C5H12N2.C5H11NO2S.2C5H11NO.2C5H9N.C5H10O.C5H8O.C5H10.C4H8N2O.C4H9NO2S.C4H9NO.C4H8O2.C4H8O.C4H8.C3H7NO.C3H7N.C3H6/c1-2-4-10-6-8-11-7-5-9(10)3-1;1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8-7(3-1)5-6-9-8;1-3-9-4-2-7(1)5-8-6-7;1-3-8-4-2-7(1)5-9-6-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-7(1)3-5-8-6-4-7;1-2-6-4-8-5-7(6)3-1;1-2-6-4-8-3-5(1)7-6;1-2-6-4-7-3-5(1)8-6;1-2-6-3-5(1)4-7-6;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;7-9(8)4-1-2-6-3-5-9;7-5-1-3-6-4-2-5;1-2-6-3-5-7-4-1;4*1-2-4-6-5-3-1;1-2-4-5-3-1;7-4-3-5-1-2-6-4;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2-4-5-3-1;1-2-4-3-1;4-3-1-5-2-3;4-3-1-2-3;1-2-3-1/h1-4,11H,5-8H2;10H,1-8H2;1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;1-4,6H,5H2;2*8H,1-6H2;4*1-5H;8H,1-6H2;6-8H,1-5H2;2*5-7H,1-4H2;5-7H,1-4H2;7H,1-6H2;1-6H2;6-7H,1-5H2;6H,1-5H2;5-7H,1-4H2;6H,1-5H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H2;1-2H,3-5H2;1-5H2;5H,1-3H2,(H,6,7);5H,1-4H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;3H,1-2,4H2;3H,1-2,4H2;1-3H2
• InChIKey: UJYLQQGGNFJEDQ-UHFFFAOYSA-N
• XLogP: 35.07
• TPSA: 692.40 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 56
• Heavy Atoms: 301
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4239.23
LogP ≤ 5	35.07
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?

The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine (CID 161113072) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine.

What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?

The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine is C1=CCNCC1.C1=CCOCC1.C1=CNCCC1.C1=Cc2cccnc2C1.C1=Nc2ccccc2C1.C1CC1.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)COC2.C1CC2(CCO1)CNC2.C1CC2CC1CN2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCNCC1.C1CCOC1.C1CCOCC1.C1CNCCNC1.C1CNCCOC1.C1COCCN1.C1COCCO1.NC1CC1.NC1COC1.O=C1CNCCN1.O=S1(=O)CCCNCC1.O=S1(=O)CCNCC1.OC1CCNCC1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2occc2c1.c1cnc2sccc2c1.

What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?

The InChIKey is UJYLQQGGNFJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H17NO.C9H11NO.C9H7N.C9H10.C8H9N.C8H7N.C8H15N.C8H7N.2C7H13NO.2C7H5NO.2C7H5NS.2C7H13N.2C6H11NO.C6H11N.C6H13N.C6H12.C5H12N2.C5H11NO2S.2C5H11NO.2C5H9N.C5H10O.C5H8O.C5H10.C4H8N2O.C4H9NO2S.C4H9NO.C4H8O2.C4H8O.C4H8.C3H7NO.C3H7N.C3H6/c1-2-4-10-6-8-11-7-5-9(10)3-1;1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8-7(3-1)5-6-9-8;1-3-9-4-2-7(1)5-8-6-7;1-3-8-4-2-7(1)5-9-6-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-7(1)3-5-8-6-4-7;1-2-6-4-8-5-7(6)3-1;1-2-6-4-8-3-5(1)7-6;1-2-6-4-7-3-5(1)8-6;1-2-6-3-5(1)4-7-6;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;7-9(8)4-1-2-6-3-5-9;7-5-1-3-6-4-2-5;1-2-6-3-5-7-4-1;4*1-2-4-6-5-3-1;1-2-4-5-3-1;7-4-3-5-1-2-6-4;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2-4-5-3-1;1-2-4-3-1;4-3-1-5-2-3;4-3-1-2-3;1-2-3-1/h1-4,11H,5-8H2;10H,1-8H2;1-4,10H,5-7H2;1-7H;1-2,4-5H,3,6-7H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;1-4,6H,5H2;2*8H,1-6H2;4*1-5H;8H,1-6H2;6-8H,1-5H2;2*5-7H,1-4H2;5-7H,1-4H2;7H,1-6H2;1-6H2;6-7H,1-5H2;6H,1-5H2;5-7H,1-4H2;6H,1-5H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H2;1-2H,3-5H2;1-5H2;5H,1-3H2,(H,6,7);5H,1-4H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;3H,1-2,4H2;3H,1-2,4H2;1-3H2.

What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine?

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine has a molecular weight of 4239.23 g/mol, XLogP of 35.07, 0 rotatable bonds, 26 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;1,3-benzothiazole;1,3-benzoxazole;cyclobutane;cyclohexane;7H-cyclopenta[b]pyridine;cyclopentane;cyclopropanamine;cyclopropane;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;3,6-dihydro-2H-pyran;1,4-dioxane;furo[2,3-b]pyridine;3H-indole;morpholine;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;7-oxa-2-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetan-3-amine;oxolane;piperazin-2-one;piperidin-4-ol;quinoline;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;1,4-thiazepane 1,1-dioxide;1,4-thiazinane 1,1-dioxide;thieno[2,3-b]pyridine is sourced from PubChem (CID 161113072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).