About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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 (PubChem CID 159244027) has the molecular formula C209H361N33O25S2
and a molecular weight of 3800.53 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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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.
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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?
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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 (CID 159244027) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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.
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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?
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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 is C1=CCNCC1.C1=CCOCC1.C1=CNCCC1.C1=COCCC1.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)CNC2.C1CC2(CCN1)COC2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCC1.C1CCCNCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCCOC1.C1COC1.C1COCCN1.C1COCCO1.C1OC2CNC1C2.O=C1C=CC=CC1.O=C1CCCc2cccnc21.O=C1CNCCN1.O=C1NCCc2ccccc21.O=C1NCc2ccccc21.O=C1NCc2cccnc21.O=S1(=O)CCCNCC1.O=S1(=O)CCNCC1.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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?
The InChIKey is KULJIAWREIFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H17NO.C9H9NO.C9H11NO.C9H9NO.C8H7NO.C8H15N.C7H6N2O.C7H14N2.C7H13NO.2C7H13N.2C6H11NO.C6H13N.C6H6O.C5H12N2.C5H11NO2S.C5H9NO.C5H11NO.C5H11N.2C5H9N.C5H10O.2C5H8O.C4H8N2O.C4H10N2.C4H9NO2S.C4H9NO.C4H9N.C4H8O2.C4H8O.C4H8.C3H7N.C3H6O/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;11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-9-8(3-1)7-10-5-6-11-9;11-9-8-4-2-1-3-7(8)5-6-10-9;10-8-7-4-2-1-3-6(7)5-9-8;1-2-8(3-1)4-6-9-7-5-8;10-7-6-5(4-9-7)2-1-3-8-6;2*1-3-8-4-2-7(1)5-9-6-7;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;1-2-4-6-7-5-3-1;7-6-4-2-1-3-5-6;1-2-6-4-5-7-3-1;7-9(8)4-1-2-6-3-5-9;1-4-3-7-5(1)2-6-4;1-2-6-3-5-7-4-1;6*1-2-4-6-5-3-1;7-4-3-5-1-2-6-4;1-2-6-4-3-5-1;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;3*1-2-4-3-1/h1-4,11H,5-8H2;10H,1-8H2;2,4,6H,1,3,5H2;1-4,10H,5-7H2;1-4H,5-6H2,(H,10,11);1-4H,5H2,(H,9,10);9H,1-7H2;1-3H,4H2,(H,9,10);8-9H,1-6H2;8H,1-6H2;8H,1-6H2;6-8H,1-5H2;2*5-7H,1-4H2;7H,1-6H2;1-4H,5H2;6-7H,1-5H2;6H,1-5H2;4-6H,1-3H2;6H,1-5H2;6H,1-5H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;5H,1-3H2,(H,6,7);5-6H,1-4H2;5H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;4H,1-3H2;1-3H2.
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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;azepane;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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 has a molecular weight of 3800.53 g/mol, XLogP of 18.06, 0 rotatable bonds, 31 hydrogen bond donors, and 54 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;azetidine;cyclobutane;cyclohexa-2,4-dien-1-one;2,7-diazaspiro[3.5]nonane;1,4-diazepane;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;6,7-dihydro-5H-quinolin-8-one;1,4-dioxane;morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;8-oxa-3-azabicyclo[3.2.1]octane;2-oxa-7-azaspiro[3.5]nonane;3-oxa-9-azaspiro[5.5]undecane;oxane;1,4-oxazepane;oxetane;oxolane;piperazine;piperazin-2-one;piperidine;pyrrolidine;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 is sourced from PubChem (CID 159244027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).