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

C14H15NO2 — CID 117222454

IUPACmethyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2C)cn1C
InChIInChI=1S/C14H15NO2/c1-10-6-4-5-7-12(10)11-8-13(14(16)17-3)15(2)9-11/h4-9H,1-3H3
InChIKeyIDRLLEYTJHAOKX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds2

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

methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate (PubChem CID 117222454) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
PubChem CID117222454
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2C)cn1C
InChIInChI=1S/C14H15NO2/c1-10-6-4-5-7-12(10)11-8-13(14(16)17-3)15(2)9-11/h4-9H,1-3H3
InChIKeyIDRLLEYTJHAOKX-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 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
3-amino-1-methyl-5-(2-methylphenyl)pyridin-2-one
CID 117222135
methyl 2-bromo-5-(2-methylphenyl)benzoate
CID 170794913
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
methyl 5-(2-methylphenyl)-3-pyrrol-1-ylfuran-2-carboxylate
CID 142675680
methyl 2-methyl-3,6-bis(2-methylphenyl)benzoate
CID 58232399
methyl 3-methyl-6-[4-(2-methylphenyl)phenyl]-1,2-dihydrobenzotriazole-4-carboxylate
CID 90369946
5-methoxycarbonyl-1-methylpyrrole-3-sulfinic acid
CID 165449442
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate (CID 117222454) is methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate is COC(=O)c1cc(-c2ccccc2C)cn1C.
What is the InChIKey of methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate?
The InChIKey is IDRLLEYTJHAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-6-4-5-7-12(10)11-8-13(14(16)17-3)15(2)9-11/h4-9H,1-3H3.
What are the key properties of methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate?
methyl 1-methyl-4-(2-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-(2-methylphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 117222454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).