cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole

C270H498N43O7S4+ — CID 161389430

IUPACcyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole
SMILESC1CCCCC1.C=C1N(C)c2ccsc2N1C(C)C.C=C1N(C)c2sc(C(C)C)c(C)c2N1C.C=C1N(C)c2sc(C)c(C(C)C)c2N1C.C=C1N(C)c2sccc2N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CNC1.CC(C)N1Cc2ccn(C)c2C1=O.CC(C)n1ccc2c1C(=O)N(C)C2.CC(C)n1ccc2c1CN(C)C2.CC(C)n1ccc2ncn(C)c21.CC(C)n1cnc2c1ccn2C.CC(C)n1cnc2ccn(C)c21.CC1C=CC2=C1CN(C(C)C)C2.CN1Cc2ccn(C)c2C1.CN1Cc2ccn(C)c2C1=O.C[N+]1=NCc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2ncn(C)c21.Cn1ccccc1=O.Cn1cccn1.O=C1C=NNC1.O=C1CC=NC1.c1cnoc1
InChIInChI=1S/2C12H18N2S.C11H17N.2C10H14N2O.2C10H14N2S.C10H16N2.3C9H13N3.C9H9N.C8H10N2O.C8H12N2.C8H9N2.C7H9N3.C6H12N2.C6H7NO.C6H12.C4H6N2.C4H5NO.11C4H10.C3H4N2O.C3H3NO.21C2H6/c1-7(2)11-8(3)10-12(15-11)14(6)9(4)13(10)5;1-7(2)10-8(3)15-12-11(10)13(5)9(4)14(12)6;1-8(2)12-6-10-5-4-9(3)11(10)7-12;1-7(2)12-5-4-8-6-11(3)10(13)9(8)12;1-7(2)12-6-8-4-5-11(3)9(8)10(12)13;1-7(2)12-8(3)11(4)10-9(12)5-6-13-10;1-7(2)12-8(3)11(4)9-5-6-13-10(9)12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-7(2)12-6-10-9-8(12)4-5-11(9)3;1-7(2)12-5-4-8-9(12)11(3)6-10-8;1-7(2)12-6-10-8-4-5-11(3)9(8)12;1-10-7-6-8-4-2-3-5-9(8)10;1-9-4-3-6-5-10(2)8(11)7(6)9;1-9-5-7-3-4-10(2)8(7)6-9;1-10-8-5-3-2-4-7(8)6-9-10;1-9-4-3-6-7(9)10(2)5-8-6;1-6(2)8-4-3-7-5-8;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;1-6-4-2-3-5-6;6-4-1-2-5-3-4;11*1-4(2)3;6-3-1-4-5-2-3;1-2-4-5-3-1;21*1-2/h2*7H,4H2,1-3,5-6H3;4-5,8-9H,6-7H2,1-3H3;2*4-5,7H,6H2,1-3H3;2*5-7H,3H2,1-2,4H3;4-5,8H,6-7H2,1-3H3;3*4-7H,1-3H3;2-7H,1H3;3-4H,5H2,1-2H3;3-4H,5-6H2,1-2H3;2-5H,6H2,1H3;3-5H,1-2H3;3-4,6-7H,5H2,1-2H3;2-5H,1H3;1-6H2;2-4H,1H3;2H,1,3H2;11*4H,1-3H3;1,5H,2H2;1-3H;21*1-2H3/q;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQMQFKHZVSOWXJR-UHFFFAOYSA-N
MW4587.52 g/mol
LogP76.14
Rot. Bonds12

About cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole

cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole (PubChem CID 161389430) has the molecular formula C270H498N43O7S4+ and a molecular weight of 4587.52 g/mol. Its IUPAC name is cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole.

Molecular Properties

Compound Namecyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole
PubChem CID161389430
Molecular FormulaC270H498N43O7S4+
Molecular Weight4587.52 g/mol
Exact Mass4583.88
IUPAC Namecyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole
SMILESC1CCCCC1.C=C1N(C)c2ccsc2N1C(C)C.C=C1N(C)c2sc(C(C)C)c(C)c2N1C.C=C1N(C)c2sc(C)c(C(C)C)c2N1C.C=C1N(C)c2sccc2N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CNC1.CC(C)N1Cc2ccn(C)c2C1=O.CC(C)n1ccc2c1C(=O)N(C)C2.CC(C)n1ccc2c1CN(C)C2.CC(C)n1ccc2ncn(C)c21.CC(C)n1cnc2c1ccn2C.CC(C)n1cnc2ccn(C)c21.CC1C=CC2=C1CN(C(C)C)C2.CN1Cc2ccn(C)c2C1.CN1Cc2ccn(C)c2C1=O.C[N+]1=NCc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2ncn(C)c21.Cn1ccccc1=O.Cn1cccn1.O=C1C=NNC1.O=C1CC=NC1.c1cnoc1
InChIInChI=1S/2C12H18N2S.C11H17N.2C10H14N2O.2C10H14N2S.C10H16N2.3C9H13N3.C9H9N.C8H10N2O.C8H12N2.C8H9N2.C7H9N3.C6H12N2.C6H7NO.C6H12.C4H6N2.C4H5NO.11C4H10.C3H4N2O.C3H3NO.21C2H6/c1-7(2)11-8(3)10-12(15-11)14(6)9(4)13(10)5;1-7(2)10-8(3)15-12-11(10)13(5)9(4)14(12)6;1-8(2)12-6-10-5-4-9(3)11(10)7-12;1-7(2)12-5-4-8-6-11(3)10(13)9(8)12;1-7(2)12-6-8-4-5-11(3)9(8)10(12)13;1-7(2)12-8(3)11(4)10-9(12)5-6-13-10;1-7(2)12-8(3)11(4)9-5-6-13-10(9)12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-7(2)12-6-10-9-8(12)4-5-11(9)3;1-7(2)12-5-4-8-9(12)11(3)6-10-8;1-7(2)12-6-10-8-4-5-11(3)9(8)12;1-10-7-6-8-4-2-3-5-9(8)10;1-9-4-3-6-5-10(2)8(11)7(6)9;1-9-5-7-3-4-10(2)8(7)6-9;1-10-8-5-3-2-4-7(8)6-9-10;1-9-4-3-6-7(9)10(2)5-8-6;1-6(2)8-4-3-7-5-8;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;1-6-4-2-3-5-6;6-4-1-2-5-3-4;11*1-4(2)3;6-3-1-4-5-2-3;1-2-4-5-3-1;21*1-2/h2*7H,4H2,1-3,5-6H3;4-5,8-9H,6-7H2,1-3H3;2*4-5,7H,6H2,1-3H3;2*5-7H,3H2,1-2,4H3;4-5,8H,6-7H2,1-3H3;3*4-7H,1-3H3;2-7H,1H3;3-4H,5H2,1-2H3;3-4H,5-6H2,1-2H3;2-5H,6H2,1H3;3-5H,1-2H3;3-4,6-7H,5H2,1-2H3;2-5H,1H3;1-6H2;2-4H,1H3;2H,1,3H2;11*4H,1-3H3;1,5H,2H2;1-3H;21*1-2H3/q;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQMQFKHZVSOWXJR-UHFFFAOYSA-N
XLogP76.14
TPSA384.53 Ų
H-Bond Donors2
H-Bond Acceptors50
Rotatable Bonds12
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004587.52
LogP ≤ 576.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1050

Analyze cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole?
The IUPAC name of cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole (CID 161389430) is cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole.
What is the SMILES notation for cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole?
The canonical SMILES for cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole is C1CCCCC1.C=C1N(C)c2ccsc2N1C(C)C.C=C1N(C)c2sc(C(C)C)c(C)c2N1C.C=C1N(C)c2sc(C)c(C(C)C)c2N1C.C=C1N(C)c2sccc2N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CNC1.CC(C)N1Cc2ccn(C)c2C1=O.CC(C)n1ccc2c1C(=O)N(C)C2.CC(C)n1ccc2c1CN(C)C2.CC(C)n1ccc2ncn(C)c21.CC(C)n1cnc2c1ccn2C.CC(C)n1cnc2ccn(C)c21.CC1C=CC2=C1CN(C(C)C)C2.CN1Cc2ccn(C)c2C1.CN1Cc2ccn(C)c2C1=O.C[N+]1=NCc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2ncn(C)c21.Cn1ccccc1=O.Cn1cccn1.O=C1C=NNC1.O=C1CC=NC1.c1cnoc1.
What is the InChIKey of cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole?
The InChIKey is QMQFKHZVSOWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N2S.C11H17N.2C10H14N2O.2C10H14N2S.C10H16N2.3C9H13N3.C9H9N.C8H10N2O.C8H12N2.C8H9N2.C7H9N3.C6H12N2.C6H7NO.C6H12.C4H6N2.C4H5NO.11C4H10.C3H4N2O.C3H3NO.21C2H6/c1-7(2)11-8(3)10-12(15-11)14(6)9(4)13(10)5;1-7(2)10-8(3)15-12-11(10)13(5)9(4)14(12)6;1-8(2)12-6-10-5-4-9(3)11(10)7-12;1-7(2)12-5-4-8-6-11(3)10(13)9(8)12;1-7(2)12-6-8-4-5-11(3)9(8)10(12)13;1-7(2)12-8(3)11(4)10-9(12)5-6-13-10;1-7(2)12-8(3)11(4)9-5-6-13-10(9)12;1-8(2)12-5-4-9-6-11(3)7-10(9)12;1-7(2)12-6-10-9-8(12)4-5-11(9)3;1-7(2)12-5-4-8-9(12)11(3)6-10-8;1-7(2)12-6-10-8-4-5-11(3)9(8)12;1-10-7-6-8-4-2-3-5-9(8)10;1-9-4-3-6-5-10(2)8(11)7(6)9;1-9-5-7-3-4-10(2)8(7)6-9;1-10-8-5-3-2-4-7(8)6-9-10;1-9-4-3-6-7(9)10(2)5-8-6;1-6(2)8-4-3-7-5-8;1-7-5-3-2-4-6(7)8;1-2-4-6-5-3-1;1-6-4-2-3-5-6;6-4-1-2-5-3-4;11*1-4(2)3;6-3-1-4-5-2-3;1-2-4-5-3-1;21*1-2/h2*7H,4H2,1-3,5-6H3;4-5,8-9H,6-7H2,1-3H3;2*4-5,7H,6H2,1-3H3;2*5-7H,3H2,1-2,4H3;4-5,8H,6-7H2,1-3H3;3*4-7H,1-3H3;2-7H,1H3;3-4H,5H2,1-2H3;3-4H,5-6H2,1-2H3;2-5H,6H2,1H3;3-5H,1-2H3;3-4,6-7H,5H2,1-2H3;2-5H,1H3;1-6H2;2-4H,1H3;2H,1,3H2;11*4H,1-3H3;1,5H,2H2;1-3H;21*1-2H3/q;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole?
cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole has a molecular weight of 4587.52 g/mol, XLogP of 76.14, 12 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1,5-dihydropyrazol-4-one;2,4-dihydropyrrol-3-one;1,5-dimethyl-4,6-dihydropyrrolo[3,4-b]pyrrole;1,5-dimethyl-4H-pyrrolo[3,4-b]pyrrol-6-one;3,4-dimethylpyrrolo[2,3-d]imidazole;ethane;1-methyl-3H-indazol-1-ium;1-methylindole;1-methyl-2-methylidene-3-propan-2-ylthieno[2,3-d]imidazole;3-methyl-2-methylidene-1-propan-2-ylthieno[2,3-d]imidazole;undecakis(2-methylpropane);4-methyl-2-propan-2-yl-3,4-dihydro-1H-cyclopenta[c]pyrrole;5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-b]pyrrole;1-methyl-5-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;5-methyl-1-propan-2-yl-4H-pyrrolo[3,4-b]pyrrol-6-one;3-methyl-4-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-1-propan-2-ylpyrrolo[2,3-d]imidazole;4-methyl-3-propan-2-ylpyrrolo[2,3-d]imidazole;1-methylpyrazole;1-methylpyridin-2-one;1,2-oxazole;3-propan-2-yl-1,2-dihydroimidazole;1,3,5-trimethyl-2-methylidene-6-propan-2-ylthieno[2,3-d]imidazole;1,3,6-trimethyl-2-methylidene-5-propan-2-ylthieno[2,3-d]imidazole is sourced from PubChem (CID 161389430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).