About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine (PubChem CID 163628963) has the molecular formula C186H289N27O16S2
and a molecular weight of 3223.66 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine.
Frequently Asked Questions
What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine (CID 163628963) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 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;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine is C.C1=CCNCC1.C1=CCOCC1.C1=CNCCC1.C1=Cc2cccnc2C1.C1=NCc2ncccc21.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)COC2.C1CC2(CCO1)CNC2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCCNCC1.C1CCOC1.C1CCOCC1.C1CNCCNC1.C1CNCCOC1.C1COCCO1.O=S1(=O)CCCNCC1.c1ccc2c(c1)CCNCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCC2.c1cnc2cc[nH]c2c1.c1cnc2occc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine?
The InChIKey is HULAECSQDCJUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H17NO.C9H11N.2C8H9NO.C8H9N.C8H7N.C8H15N.2C7H6N2.2C7H13NO.C7H5NO.C7H5NS.2C7H13N.2C6H11NO.C6H13N.C5H12N2.C5H11NO2S.C5H11NO.2C5H9N.C5H10O.C5H8O.C4H8O2.C4H8O.CH4/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;1-2-6-9-8(4-1)5-3-7-10-9;1-4-8-7(9-5-1)3-2-6-10-8;1-2-7-6-10-5-3-8(7)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;1-2-6-7(8-4-1)3-5-9-6;1-2-6-4-8-5-7(6)9-3-1;1-3-9-4-2-7(1)5-8-6-7;1-3-8-4-2-7(1)5-9-6-7;2*1-2-6-3-5-9-7(6)8-4-1;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;1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;7-9(8)4-1-2-6-3-5-9;1-2-6-3-5-7-4-1;4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;/h1-4,11H,5-8H2;10H,1-8H2;3,5,7H,1-2,4,6H2;1,4-5H,2-3,6H2;1-2,4H,3,5-6H2;2,4,6H,1,3,5H2;1-4,6H,5H2;9H,1-7H2;1-5,9H;1-4H,5H2;2*8H,1-6H2;2*1-5H;8H,1-6H2;6-8H,1-5H2;2*5-7H,1-4H2;7H,1-6H2;6-7H,1-5H2;6H,1-5H2;6H,1-5H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H2;1-2H,3-5H2;1-4H2;1-4H2;1H4.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine has a molecular weight of 3223.66 g/mol, XLogP of 26.87, 0 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;7H-cyclopenta[b]pyridine;1,4-diazepane;6,7-dihydro-5H-cyclopenta[b]pyridine;3,6-dihydro-2H-pyran;3,4-dihydro-2H-pyrano[3,2-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,4-dioxane;furo[2,3-b]pyridine;methane;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;oxolane;1H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;5,6,7,8-tetrahydroquinoline;1,4-thiazepane 1,1-dioxide;thieno[2,3-b]pyridine is sourced from PubChem (CID 163628963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).