methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate

C18H23NO2 — CID 159349463

IUPACmethyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)c(C)c(C)c2C)n(C)c1C
InChIInChI=1S/C18H23NO2/c1-10-8-15(13(4)12(3)11(10)2)17-9-16(18(20)21-7)14(5)19(17)6/h8-9H,1-7H3
InChIKeyLDTBYEOVAKGTCM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.02
Rot. Bonds2

About methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate

methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate (PubChem CID 159349463) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
PubChem CID159349463
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)c(C)c(C)c2C)n(C)c1C
InChIInChI=1S/C18H23NO2/c1-10-8-15(13(4)12(3)11(10)2)17-9-16(18(20)21-7)14(5)19(17)6/h8-9H,1-7H3
InChIKeyLDTBYEOVAKGTCM-UHFFFAOYSA-N
XLogP4.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-5-(2,3,4-trimethylphenyl)pyrrole-3-carboxylic acid
CID 116828679
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate
CID 86688707
methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate
CID 114273533
methyl 3-methyl-5-oxopyrrolizine-2-carboxylate
CID 11401264
methyl 1,2-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyrrole-3-carboxylate
CID 114273544
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
dimethyl 3-bromo-4,5-dimethylbenzene-1,2-dicarboxylate
CID 164920115
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate (CID 159349463) is methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate is COC(=O)c1cc(-c2cc(C)c(C)c(C)c2C)n(C)c1C.
What is the InChIKey of methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate?
The InChIKey is LDTBYEOVAKGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-10-8-15(13(4)12(3)11(10)2)17-9-16(18(20)21-7)14(5)19(17)6/h8-9H,1-7H3.
What are the key properties of methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate?
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 159349463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).