methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate

C14H15NO2 — CID 135075672

IUPACmethyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate
SMILESCOC(=O)Cc1[nH]ccc1-c1cccc(C)c1
InChIInChI=1S/C14H15NO2/c1-10-4-3-5-11(8-10)12-6-7-15-13(12)9-14(16)17-2/h3-8,15H,9H2,1-2H3
InChIKeyMCRLESTYARWWDO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.71
Rot. Bonds3

About methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate

methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate (PubChem CID 135075672) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate
PubChem CID135075672
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate
SMILESCOC(=O)Cc1[nH]ccc1-c1cccc(C)c1
InChIInChI=1S/C14H15NO2/c1-10-4-3-5-11(8-10)12-6-7-15-13(12)9-14(16)17-2/h3-8,15H,9H2,1-2H3
InChIKeyMCRLESTYARWWDO-UHFFFAOYSA-N
XLogP2.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
methyl 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetate
CID 47348285
methyl 3-amino-4-(3-methylphenyl)-1H-pyrrole-2-carboxylate
CID 91811947
methyl 2-[4-chloro-2-(3-methylphenyl)pyrimidin-5-yl]acetate
CID 117225358
methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
CID 10659778
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 4-(3-methylphenyl)-1-benzothiophene-2-carboxylate
CID 66810885
methyl 2-(3-cyano-4-sulfanylidene-1H-pyridin-2-yl)acetate
CID 130836997
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
[2-(3-methylphenyl)phenyl] 2-methylpropanoate
CID 170389362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate (CID 135075672) is methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate is COC(=O)Cc1[nH]ccc1-c1cccc(C)c1.
What is the InChIKey of methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate?
The InChIKey is MCRLESTYARWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-4-3-5-11(8-10)12-6-7-15-13(12)9-14(16)17-2/h3-8,15H,9H2,1-2H3.
What are the key properties of methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate?
methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate has a molecular weight of 229.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate is sourced from PubChem (CID 135075672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).