About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide (PubChem CID 161059050) has the molecular formula C196H404N34O24S4
and a molecular weight of 3749.87 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide.
Frequently Asked Questions
What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide (CID 161059050) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CNCCC1.C1=CNCCN1.C1=CSC=CN1.C1=NCCN1.C1=NCCO1.C1CC2CCC1O2.C1CC2CNCC1C2.C1CC2COCC1N2.C1CCC2(CC1)CCCC2.C1CCN2CCCCC2C1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CN2CCC1NC2.C1CNNC1.C1CO1.C1COC1.C1CSCN1.C=CN1CCN(C=O)CC1.CC1CCCC(C)N1.CC1CCNCC1.CC1CNCC(C)C1.CC1CNCCN1.O=C(C1CCNCC1)N1CCCCC1.O=C1CCCC1.O=C1CCCC1.O=C1CCCN1.O=C1NCCCO1.O=C1NCCN1.O=C1OCCO1.O=S1(=O)CCCC1.O=S1(=O)CCCCCN1.OCC1CNCCN1.c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide?
The InChIKey is UDDNUNFBFYZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C10H18.C9H17N.C8H8O2.C7H12N2O.C7H13N.2C7H15N.C6H12N2.C6H11NO.C6H13N.C6H10O.C5H12N2O.C5H12N2.C5H11NO2S.2C5H11N.C5H9N.2C5H8O.C4H8N2.C4H7NO2.C4H7NO.C4H5NS.C4H9N.C4H8O2S.C4H8O.C3H6N2O.C3H6N2.C3H8N2.C3H5NO.C3H7NS.C3H4O3.C3H6O.C2H4O.15CH4/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13;1-2-6-10(7-3-1)8-4-5-9-10;1-3-7-10-8-4-2-6-9(10)5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-8-3-5-9(7-10)6-4-8;1-2-7-3-6(1)4-8-5-7;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6;1-3-8-4-2-6(1)7-5-8;1-2-6-4-8-3-5(1)7-6;1-6-2-4-7-5-3-6;1-2-6-4-3-5(1)7-6;8-4-5-3-6-1-2-7-5;1-5-4-6-2-3-7-5;7-9(8)5-3-1-2-4-6-9;3*1-2-4-6-5-3-1;2*6-5-3-1-2-4-5;1-2-6-4-3-5-1;6-4-5-2-1-3-7-4;6-4-2-1-3-5-4;1-3-6-4-2-5-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-4-5-3-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;4-3-5-1-2-6-3;1-2-4-3-1;1-2-3-1;;;;;;;;;;;;;;;/h10,12H,1-9H2;1-9H2;9H,1-8H2;1-4H,5-6H2;2,7H,1,3-6H2;6-8H,1-5H2;2*6-8H,3-5H2,1-2H3;6-7H,1-5H2;5-7H,1-4H2;6-7H,2-5H2,1H3;5-6H,1-4H2;5-8H,1-4H2;5-7H,2-4H2,1H3;6H,1-5H2;2*6H,1-5H2;2,4,6H,1,3,5H2;2*1-4H2;1-2,5-6H,3-4H2;1-3H2,(H,5,6);1-3H2,(H,5,6);1-5H;5H,1-4H2;1-4H2;1-4H2;1-2H2,(H2,4,5,6);3H,1-2H2,(H,4,5);4-5H,1-3H2;3H,1-2H2;4H,1-3H2;1-2H2;1-3H2;1-2H2;15*1H4.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide has a molecular weight of 3749.87 g/mol, XLogP of 28.17, 4 rotatable bonds, 28 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-azabicyclo[3.2.1]octane;bis(cyclopentanone);1,3-diazabicyclo[2.2.2]octane;2,3-dihydro-1,4-benzodioxine;4,5-dihydro-1H-imidazole;4,5-dihydro-1,3-oxazole;2,6-dimethylpiperidine;3,5-dimethylpiperidine;1,3-dioxolan-2-one;4-ethenylpiperazine-1-carbaldehyde;imidazolidin-2-one;methane;2-methylpiperazine;4-methylpiperidine;3-oxa-8-azabicyclo[3.2.1]octane;7-oxabicyclo[2.2.1]heptane;1,3-oxazinan-2-one;oxetane;oxirane;oxolane;piperazin-2-ylmethanol;bis(piperidine);piperidin-1-yl(piperidin-4-yl)methanone;pyrazolidine;pyrrolidine;pyrrolidin-2-one;spiro[4.5]decane;1,2,3,4-tetrahydropyrazine;1,2,3,4-tetrahydropyridine;thiazepane 1,1-dioxide;4H-1,4-thiazine;1,3-thiazolidine;thiolane 1,1-dioxide is sourced from PubChem (CID 161059050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).