methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate

C14H15NO2 — CID 58326664

IUPACmethyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)cn1C
InChIInChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)12-8-13(14(16)17-3)15(2)9-12/h4-9H,1-3H3
InChIKeySAAIYEOEDYKKMS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds2

About methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate

methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate (PubChem CID 58326664) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
PubChem CID58326664
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)cn1C
InChIInChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)12-8-13(14(16)17-3)15(2)9-12/h4-9H,1-3H3
InChIKeySAAIYEOEDYKKMS-UHFFFAOYSA-N
XLogP2.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
CID 117222454
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
methyl 1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylate
CID 12897062
methyl 1-methyl-5-[[1-methyl-4-[[1-methyl-4-(4-methylphenyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate
CID 118070958
methyl 1-methyl-4-[4-[(1-methyl-4-propan-2-ylimidazole-2-carbonyl)amino]phenyl]pyrrole-2-carboxylate
CID 118069032
ethyl 1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate
CID 14643807
5-methoxycarbonyl-1-methylpyrrole-3-sulfinic acid
CID 165449442
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate (CID 58326664) is methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)cn1C.
What is the InChIKey of methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate?
The InChIKey is SAAIYEOEDYKKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-4-6-11(7-5-10)12-8-13(14(16)17-3)15(2)9-12/h4-9H,1-3H3.
What are the key properties of methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate?
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 58326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).