1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride

C93H94Cl3N11O7 — CID 158959711

IUPAC1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride
SMILESC=C(Cc1cn(C)c2ccccc12)OC(C)C.C=NCc1cn(C)c2ccccc12.CN(C)Cc1c[nH]c2ccccc12.Cc1ccc2c(C(=O)C(=O)Cl)cn(C)c2c1.Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccn(C)c2c1.O=C(Cl)C(=O)Cl
InChIInChI=1S/C23H19N3O2.C15H19NO.C12H10ClNO2.C11H14N2.C11H12N2.C10H11N.C9H9N.C2Cl2O2/c1-13-8-9-15-17(12-26(3)19(15)10-13)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18;1-11(2)17-12(3)9-13-10-16(4)15-8-6-5-7-14(13)15;1-7-3-4-8-9(11(15)12(13)16)6-14(2)10(8)5-7;1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;1-12-7-9-8-13(2)11-6-4-3-5-10(9)11;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-2-3-8-4-5-10-9(8)6-7;3-1(5)2(4)6/h4-12H,1-3H3,(H,24,27,28);5-8,10-11H,3,9H2,1-2,4H3;3-6H,1-2H3;3-7,12H,8H2,1-2H3;3-6,8H,1,7H2,2H3;3-7H,1-2H3;2-6,10H,1H3;
InChIKeyJMLPMSQVWHQDPE-UHFFFAOYSA-N
MW1584.20 g/mol
LogP19.73
Rot. Bonds13

About 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride

1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride (PubChem CID 158959711) has the molecular formula C93H94Cl3N11O7 and a molecular weight of 1584.20 g/mol. Its IUPAC name is 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride.

Molecular Properties

Compound Name1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride
PubChem CID158959711
Molecular FormulaC93H94Cl3N11O7
Molecular Weight1584.20 g/mol
Exact Mass1581.64
IUPAC Name1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride
SMILESC=C(Cc1cn(C)c2ccccc12)OC(C)C.C=NCc1cn(C)c2ccccc12.CN(C)Cc1c[nH]c2ccccc12.Cc1ccc2c(C(=O)C(=O)Cl)cn(C)c2c1.Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccn(C)c2c1.O=C(Cl)C(=O)Cl
InChIInChI=1S/C23H19N3O2.C15H19NO.C12H10ClNO2.C11H14N2.C11H12N2.C10H11N.C9H9N.C2Cl2O2/c1-13-8-9-15-17(12-26(3)19(15)10-13)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18;1-11(2)17-12(3)9-13-10-16(4)15-8-6-5-7-14(13)15;1-7-3-4-8-9(11(15)12(13)16)6-14(2)10(8)5-7;1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;1-12-7-9-8-13(2)11-6-4-3-5-10(9)11;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-2-3-8-4-5-10-9(8)6-7;3-1(5)2(4)6/h4-12H,1-3H3,(H,24,27,28);5-8,10-11H,3,9H2,1-2,4H3;3-6H,1-2H3;3-7,12H,8H2,1-2H3;3-6,8H,1,7H2,2H3;3-7H,1-2H3;2-6,10H,1H3;
InChIKeyJMLPMSQVWHQDPE-UHFFFAOYSA-N
XLogP19.73
TPSA200.44 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001584.20
LogP ≤ 519.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride with MolForge

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Related Compounds

methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
CID 157075907
1-chloroethyl 2-(1-methyl-6-nitroindol-3-yl)ethanimidate;3-[1-(1-hydroxyethyl)indol-3-yl]-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione;1H-indole;methane;1-(1-methoxyethyl)indole;3-[1-(1-methoxyethyl)indol-3-yl]-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione;2-[1-(1-methoxyethyl)indol-3-yl]-2-oxoacetyl chloride
CID 157269150
bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine
CID 157296526
CID 157528517
CID 157528517
3-(2-chloro-1H-indol-3-yl)-4-(1-cyclohex-2-en-1-ylindol-3-yl)pyrrole-2,5-dione;2-(1-cyclohex-2-en-1-ylindol-3-yl)acetamide;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 157579073
bis(5-chloropent-1-yne);2-(1H-indol-3-yl)acetamide;methyl 2-(1H-indol-3-yl)-2-oxoacetate;methyl 2-oxo-2-(1-pent-4-ynylindol-3-yl)acetate;2-(1-pent-4-ynylindol-3-yl)acetamide
CID 157655834
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(1-benzylindol-3-yl)-3-oxo-1H-indole-2-carboxylate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-(1-benzylindol-3-yl)-3-oxo-1H-indole-2-carboxylate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(1H-indol-3-yl)-3-oxo-1H-indole-2-carboxylate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-(1H-indol-3-yl)-3-oxo-1H-indole-2-carboxylate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(1-methylindol-3-yl)-3-oxo-1H-indole-2-carboxylate;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-(1-methylindol-3-yl)-3-oxo-1H-indole-2-carboxylate
CID 157884337
3,4-Bis(1,6-dimethylindol-3-yl)pyrrole-2,5-dione;1,6-dimethylindole;1-(1,6-dimethylindol-3-yl)ethanone;1,6-dimethyl-3-(2-propan-2-yloxyprop-2-enyl)indole;formyl chloride
CID 158313571
3-(2-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(2-chloro-1H-indol-3-yl)-2-oxoacetate
CID 158848053
bis(1H-indole);2-indol-1-ylacetamide;3-indol-1-yl-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;propane
CID 159491643
4-fluoro-1H-indole;2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl chloride;N-[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]benzamide;bis(N-pyrrolidin-3-ylbenzamide)
CID 159516927

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride?
The IUPAC name of 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride (CID 158959711) is 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride.
What is the SMILES notation for 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride?
The canonical SMILES for 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride is C=C(Cc1cn(C)c2ccccc12)OC(C)C.C=NCc1cn(C)c2ccccc12.CN(C)Cc1c[nH]c2ccccc12.Cc1ccc2c(C(=O)C(=O)Cl)cn(C)c2c1.Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccn(C)c2c1.O=C(Cl)C(=O)Cl.
What is the InChIKey of 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride?
The InChIKey is JMLPMSQVWHQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C15H19NO.C12H10ClNO2.C11H14N2.C11H12N2.C10H11N.C9H9N.C2Cl2O2/c1-13-8-9-15-17(12-26(3)19(15)10-13)21-20(22(27)24-23(21)28)16-11-25(2)18-7-5-4-6-14(16)18;1-11(2)17-12(3)9-13-10-16(4)15-8-6-5-7-14(13)15;1-7-3-4-8-9(11(15)12(13)16)6-14(2)10(8)5-7;1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;1-12-7-9-8-13(2)11-6-4-3-5-10(9)11;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-2-3-8-4-5-10-9(8)6-7;3-1(5)2(4)6/h4-12H,1-3H3,(H,24,27,28);5-8,10-11H,3,9H2,1-2,4H3;3-6H,1-2H3;3-7,12H,8H2,1-2H3;3-6,8H,1,7H2,2H3;3-7H,1-2H3;2-6,10H,1H3;.
What are the key properties of 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride?
1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride has a molecular weight of 1584.20 g/mol, XLogP of 19.73, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylindole;3-(1,6-dimethylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;2-(1,6-dimethylindol-3-yl)-2-oxoacetyl chloride;1-(1H-indol-3-yl)-N,N-dimethylmethanamine;6-methyl-1H-indole;N-[(1-methylindol-3-yl)methyl]methanimine;1-methyl-3-(2-propan-2-yloxyprop-2-enyl)indole;oxalyl dichloride is sourced from PubChem (CID 158959711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).