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

C63H67ClN6O5 — CID 158313571

IUPAC3,4-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
SMILESC=C(Cc1cn(C)c2cc(C)ccc12)OC(C)C.CC(=O)c1cn(C)c2cc(C)ccc12.Cc1ccc2c(C3=C(c4cn(C)c5cc(C)ccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2ccn(C)c2c1.O=CCl
InChIInChI=1S/C24H21N3O2.C16H21NO.C12H13NO.C10H11N.CHClO/c1-13-5-7-15-17(11-26(3)19(15)9-13)21-22(24(29)25-23(21)28)18-12-27(4)20-10-14(2)6-8-16(18)20;1-11(2)18-13(4)9-14-10-17(5)16-8-12(3)6-7-15(14)16;1-8-4-5-10-11(9(2)14)7-13(3)12(10)6-8;1-8-3-4-9-5-6-11(2)10(9)7-8;2-1-3/h5-12H,1-4H3,(H,25,28,29);6-8,10-11H,4,9H2,1-3,5H3;4-7H,1-3H3;3-7H,1-2H3;1H
InChIKeyGNZAJVOZTKOHQP-UHFFFAOYSA-N
MW1023.72 g/mol
LogP13.41
Rot. Bonds7

About 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

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 (PubChem CID 158313571) has the molecular formula C63H67ClN6O5 and a molecular weight of 1023.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID158313571
Molecular FormulaC63H67ClN6O5
Molecular Weight1023.72 g/mol
Exact Mass1022.49
IUPAC Name3,4-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
SMILESC=C(Cc1cn(C)c2cc(C)ccc12)OC(C)C.CC(=O)c1cn(C)c2cc(C)ccc12.Cc1ccc2c(C3=C(c4cn(C)c5cc(C)ccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2ccn(C)c2c1.O=CCl
InChIInChI=1S/C24H21N3O2.C16H21NO.C12H13NO.C10H11N.CHClO/c1-13-5-7-15-17(11-26(3)19(15)9-13)21-22(24(29)25-23(21)28)18-12-27(4)20-10-14(2)6-8-16(18)20;1-11(2)18-13(4)9-14-10-17(5)16-8-12(3)6-7-15(14)16;1-8-4-5-10-11(9(2)14)7-13(3)12(10)6-8;1-8-3-4-9-5-6-11(2)10(9)7-8;2-1-3/h5-12H,1-4H3,(H,25,28,29);6-8,10-11H,4,9H2,1-3,5H3;4-7H,1-3H3;3-7H,1-2H3;1H
InChIKeyGNZAJVOZTKOHQP-UHFFFAOYSA-N
XLogP13.41
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.72
LogP ≤ 513.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Ethane;bis(3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione);methyl 2-(1-methylindol-3-yl)-2-oxoacetate;2-phenylacetamide;2-phenylacetic acid
CID 157163024
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
Ethane;methane;1-methylindole;2-(1-methylindol-3-yl)-2-oxoacetamide;3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione;methyl 2-phenylacetate
CID 157924227
bis(1-methyl-N-[3-methyl-4-[2-[(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl]benzene-6-id-1-yl]indole-3-carboxamide);bis(yttrium)
CID 157977614
3-[1-(3-hydroperoxyperoxyperoxyperoxyperoxyperoxypropyl)indol-3-yl]-4-indol-1-ylpyrrole-2,5-dione;1-indol-1-ylpropan-2-one;bis(methyl 2-(1-butylindol-3-yl)-2-oxoacetate);methyl 2-(3H-inden-1-yl)-2-oxoacetate
CID 158865455
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
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methane;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159237021
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159311513
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-[(3-benzylindol-1-yl)methyl]-N-methylbenzamide;4-[[3-[2-(dimethylamino)ethyl]indol-1-yl]methyl]-N-methylbenzamide;4-(indol-1-ylmethyl)-N-methylbenzamide;methane;1-[4-[[(2S)-2-(methoxymethyl)cyclopentyl]methyl]phenyl]propan-1-one;N-methyl-4-[(2-methylindol-1-yl)methyl]benzamide
CID 159636118
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;bis(2-(1H-indol-3-yl)acetamide);bis(methyl 2-(1H-indol-3-yl)-2-oxoacetate)
CID 159868233

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(Cc1cn(C)c2cc(C)ccc12)OC(C)C.CC(=O)c1cn(C)c2cc(C)ccc12.Cc1ccc2c(C3=C(c4cn(C)c5cc(C)ccc45)C(=O)NC3=O)cn(C)c2c1.Cc1ccc2ccn(C)c2c1.O=CCl.
What is the InChIKey of 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?
The InChIKey is GNZAJVOZTKOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2.C16H21NO.C12H13NO.C10H11N.CHClO/c1-13-5-7-15-17(11-26(3)19(15)9-13)21-22(24(29)25-23(21)28)18-12-27(4)20-10-14(2)6-8-16(18)20;1-11(2)18-13(4)9-14-10-17(5)16-8-12(3)6-7-15(14)16;1-8-4-5-10-11(9(2)14)7-13(3)12(10)6-8;1-8-3-4-9-5-6-11(2)10(9)7-8;2-1-3/h5-12H,1-4H3,(H,25,28,29);6-8,10-11H,4,9H2,1-3,5H3;4-7H,1-3H3;3-7H,1-2H3;1H.
What are the key properties of 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?
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 has a molecular weight of 1023.72 g/mol, XLogP of 13.41, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158313571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).