1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

C239H342N50O26S5 — CID 158869033

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (PubChem CID 158869033) has the molecular formula C239H342N50O26S5 and a molecular weight of 4492.02 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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
• PubChem CID: 158869033
• Molecular Formula: C239H342N50O26S5
• Molecular Weight: 4492.02 g/mol
• Exact Mass: 4488.56
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
• SMILES: C1=CCOCC1.C1=COCCC1.C1CC1.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)COC2.C1CC2(CCO1)CNC2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCO1.O=C1NCCc2ccccc21.O=C1NCCc2cccnc21.O=C1NCc2ccccc21.O=C1NCc2cccnc21.c1c[nH]cn1.c1cc[nH]c1.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C10H13N.C9H17NO.C9H11NO.C9H9NO.C8H8N2O.C8H7NO.C8H15N.C8H8O2.C7H6N2O.2C7H13NO.2C7H13N.C7H6O2.2C6H11NO.2C6H12.C6H6.C5H5N.C5H10O.2C5H8O.C5H10.3C4H4N2.C4H5N.C4H8O2.C4H8O.C4H4O.C4H4S.C4H8.2C3H4N2.2C3H3NO.2C3H3NS.C3H6O.C3H6.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/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;11-9-8-4-2-1-3-7(8)5-6-10-9;11-8-7-6(3-5-10-8)2-1-4-9-7;10-8-7-4-2-1-3-6(7)5-9-8;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8-7(3-1)9-5-6-10-8;10-7-6-5(4-9-7)2-1-3-8-6;1-3-9-4-2-7(1)5-8-6-7;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;1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-8-3-5(1)7-6;1-2-6-4-7-3-5(1)8-6;7*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-4,11H,5-8H2;10H,1-8H2;1-4,10H,5-7H2;1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);1-4H,5H2,(H,9,10);9H,1-7H2;1-4H,5-6H2;1-3H,4H2,(H,9,10);2*8H,1-6H2;8H,1-6H2;6-8H,1-5H2;1-4H,5H2;2*5-7H,1-4H2;2*1-6H2;1-6H;1-5H;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-5H2;3*1-4H;1-5H;1-4H2;1-4H2;2*1-4H;1-4H2;2*1-3H,(H,4,5);4*1-3H;1-3H2;1-3H2;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5)
• InChIKey: JBPNWXOGWHWQKO-UHFFFAOYSA-N
• XLogP: 40.70
• TPSA: 940.75 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 71
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4492.02
LogP ≤ 5	40.70
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	71

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole (CID 158869033) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole.

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is C1=CCOCC1.C1=COCCC1.C1CC1.C1CC2(C1)CCNCC2.C1CC2(CCN1)CC2.C1CC2(CCN1)CCOCC2.C1CC2(CCN1)COC2.C1CC2(CCO1)CNC2.C1CC2CNCC1O2.C1CC2CNCC2C1.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCO1.O=C1NCCc2ccccc21.O=C1NCCc2cccnc21.O=C1NCc2ccccc21.O=C1NCc2cccnc21.c1c[nH]cn1.c1cc[nH]c1.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1.

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

The InChIKey is JBPNWXOGWHWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H17NO.C9H11NO.C9H9NO.C8H8N2O.C8H7NO.C8H15N.C8H8O2.C7H6N2O.2C7H13NO.2C7H13N.C7H6O2.2C6H11NO.2C6H12.C6H6.C5H5N.C5H10O.2C5H8O.C5H10.3C4H4N2.C4H5N.C4H8O2.C4H8O.C4H4O.C4H4S.C4H8.2C3H4N2.2C3H3NO.2C3H3NS.C3H6O.C3H6.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/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;11-9-8-4-2-1-3-7(8)5-6-10-9;11-8-7-6(3-5-10-8)2-1-4-9-7;10-8-7-4-2-1-3-6(7)5-9-8;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8-7(3-1)9-5-6-10-8;10-7-6-5(4-9-7)2-1-3-8-6;1-3-9-4-2-7(1)5-8-6-7;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;1-2-4-7-6(3-1)8-5-9-7;1-2-6-4-8-3-5(1)7-6;1-2-6-4-7-3-5(1)8-6;7*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-4,11H,5-8H2;10H,1-8H2;1-4,10H,5-7H2;1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);1-4H,5H2,(H,9,10);9H,1-7H2;1-4H,5-6H2;1-3H,4H2,(H,9,10);2*8H,1-6H2;8H,1-6H2;6-8H,1-5H2;1-4H,5H2;2*5-7H,1-4H2;2*1-6H2;1-6H;1-5H;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-5H2;3*1-4H;1-5H;1-4H2;1-4H2;2*1-4H;1-4H2;2*1-3H,(H,4,5);4*1-3H;1-3H2;1-3H2;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5).

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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole?

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;7-azaspiro[3.5]nonane;6-azaspiro[2.5]octane;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole has a molecular weight of 4492.02 g/mol, XLogP of 40.70, 0 rotatable bonds, 20 hydrogen bond donors, and 71 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;benzene;1,3-benzodioxole;cyclobutane;bis(cyclohexane);cyclopentane;cyclopropane;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,4-dioxane;furan;1H-imidazole;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;1,2,4-oxadiazole;1,3,4-oxadiazole;oxane;1,2-oxazole;1,3-oxazole;oxetane;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158869033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).