dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane

C79H79AlCl6N4O10 — CID 162058973

IUPACdichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane
SMILESCCOC(=O)c1cc(C(=O)Cc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1cc(CCc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1ccc(C)[nH]1.Cc1[nH]c(C(=O)O)cc1CCc1cccc2ccccc12.ClCCl.Cl[Al](Cl)Cl.O=C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C20H19NO3.C20H21NO2.C18H17NO2.C12H9ClO.C8H11NO2.CH2Cl2.Al.3ClH/c1-3-24-20(23)18-12-17(13(2)21-18)19(22)11-15-9-6-8-14-7-4-5-10-16(14)15;1-3-23-20(22)19-13-17(14(2)21-19)12-11-16-9-6-8-15-7-4-5-10-18(15)16;1-12-15(11-17(19-12)18(20)21)10-9-14-7-4-6-13-5-2-3-8-16(13)14;13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-3-11-8(10)7-5-4-6(2)9-7;2-1-3;;;;/h4-10,12,21H,3,11H2,1-2H3;4-10,13,21H,3,11-12H2,1-2H3;2-8,11,19H,9-10H2,1H3,(H,20,21);1-7H,8H2;4-5,9H,3H2,1-2H3;1H2;;3*1H/q;;;;;;+3;;;/p-3
InChIKeyYZOLEMCUNFHXLF-UHFFFAOYSA-K
MW1484.22 g/mol
LogP20.23
Rot. Bonds18

About dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane

dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane (PubChem CID 162058973) has the molecular formula C79H79AlCl6N4O10 and a molecular weight of 1484.22 g/mol. Its IUPAC name is dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane.

Molecular Properties

Compound Namedichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane
PubChem CID162058973
Molecular FormulaC79H79AlCl6N4O10
Molecular Weight1484.22 g/mol
Exact Mass1480.37
IUPAC Namedichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane
SMILESCCOC(=O)c1cc(C(=O)Cc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1cc(CCc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1ccc(C)[nH]1.Cc1[nH]c(C(=O)O)cc1CCc1cccc2ccccc12.ClCCl.Cl[Al](Cl)Cl.O=C(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C20H19NO3.C20H21NO2.C18H17NO2.C12H9ClO.C8H11NO2.CH2Cl2.Al.3ClH/c1-3-24-20(23)18-12-17(13(2)21-18)19(22)11-15-9-6-8-14-7-4-5-10-16(14)15;1-3-23-20(22)19-13-17(14(2)21-19)12-11-16-9-6-8-15-7-4-5-10-18(15)16;1-12-15(11-17(19-12)18(20)21)10-9-14-7-4-6-13-5-2-3-8-16(13)14;13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-3-11-8(10)7-5-4-6(2)9-7;2-1-3;;;;/h4-10,12,21H,3,11H2,1-2H3;4-10,13,21H,3,11-12H2,1-2H3;2-8,11,19H,9-10H2,1H3,(H,20,21);1-7H,8H2;4-5,9H,3H2,1-2H3;1H2;;3*1H/q;;;;;;+3;;;/p-3
InChIKeyYZOLEMCUNFHXLF-UHFFFAOYSA-K
XLogP20.23
TPSA213.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.22
LogP ≤ 520.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane with MolForge

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Related Compounds

ethyl 5-methyl-4-(2-phenylpropanoyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-phenylpropyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-phenylpropyl)-1H-pyrrole-2-carboxylic acid;2-phenylpropanoyl chloride
CID 157348372
3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
CID 44718680
ethyl 2-(113C)methyl-5-(2,2,2-trichloroacetyl)-(2,3-13C2,115N)1H-pyrrole-3-carboxylate
CID 45378502
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
CID 86634720
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane?
The IUPAC name of dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane (CID 162058973) is dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane.
What is the SMILES notation for dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane?
The canonical SMILES for dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane is CCOC(=O)c1cc(C(=O)Cc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1cc(CCc2cccc3ccccc23)c(C)[nH]1.CCOC(=O)c1ccc(C)[nH]1.Cc1[nH]c(C(=O)O)cc1CCc1cccc2ccccc12.ClCCl.Cl[Al](Cl)Cl.O=C(Cl)Cc1cccc2ccccc12.
What is the InChIKey of dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane?
The InChIKey is YZOLEMCUNFHXLF-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H19NO3.C20H21NO2.C18H17NO2.C12H9ClO.C8H11NO2.CH2Cl2.Al.3ClH/c1-3-24-20(23)18-12-17(13(2)21-18)19(22)11-15-9-6-8-14-7-4-5-10-16(14)15;1-3-23-20(22)19-13-17(14(2)21-19)12-11-16-9-6-8-15-7-4-5-10-18(15)16;1-12-15(11-17(19-12)18(20)21)10-9-14-7-4-6-13-5-2-3-8-16(13)14;13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-3-11-8(10)7-5-4-6(2)9-7;2-1-3;;;;/h4-10,12,21H,3,11H2,1-2H3;4-10,13,21H,3,11-12H2,1-2H3;2-8,11,19H,9-10H2,1H3,(H,20,21);1-7H,8H2;4-5,9H,3H2,1-2H3;1H2;;3*1H/q;;;;;;+3;;;/p-3.
What are the key properties of dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane?
dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane has a molecular weight of 1484.22 g/mol, XLogP of 20.23, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethyl 5-methyl-4-(2-naphthalen-1-ylacetyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylate;ethyl 5-methyl-1H-pyrrole-2-carboxylate;5-methyl-4-(2-naphthalen-1-ylethyl)-1H-pyrrole-2-carboxylic acid;2-naphthalen-1-ylacetyl chloride;trichloroalumane is sourced from PubChem (CID 162058973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).