methyl 5-(3-methylphenyl)indolizine-2-carboxylate

C17H15NO2 — CID 141361015

IUPACmethyl 5-(3-methylphenyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3cccc(C)c3)n2c1
InChIInChI=1S/C17H15NO2/c1-12-5-3-6-13(9-12)16-8-4-7-15-10-14(11-18(15)16)17(19)20-2/h3-11H,1-2H3
InChIKeyHSWHIQRKWZOCHK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.70
Rot. Bonds2

About methyl 5-(3-methylphenyl)indolizine-2-carboxylate

methyl 5-(3-methylphenyl)indolizine-2-carboxylate (PubChem CID 141361015) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-(3-methylphenyl)indolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methylphenyl)indolizine-2-carboxylate
PubChem CID141361015
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl 5-(3-methylphenyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3cccc(C)c3)n2c1
InChIInChI=1S/C17H15NO2/c1-12-5-3-6-13(9-12)16-8-4-7-15-10-14(11-18(15)16)17(19)20-2/h3-11H,1-2H3
InChIKeyHSWHIQRKWZOCHK-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
CID 141360951
methyl 5-thiophen-3-ylindolizine-2-carboxylate
CID 141360977
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)indolizine-2-carboxamide
CID 141360952
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
methyl 3-(1-phenylpyrrol-2-yl)benzoate
CID 132547671
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
methyl 3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145291
methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methylphenyl)indolizine-2-carboxylate?
The IUPAC name of methyl 5-(3-methylphenyl)indolizine-2-carboxylate (CID 141361015) is methyl 5-(3-methylphenyl)indolizine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methylphenyl)indolizine-2-carboxylate?
The canonical SMILES for methyl 5-(3-methylphenyl)indolizine-2-carboxylate is COC(=O)c1cc2cccc(-c3cccc(C)c3)n2c1.
What is the InChIKey of methyl 5-(3-methylphenyl)indolizine-2-carboxylate?
The InChIKey is HSWHIQRKWZOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-5-3-6-13(9-12)16-8-4-7-15-10-14(11-18(15)16)17(19)20-2/h3-11H,1-2H3.
What are the key properties of methyl 5-(3-methylphenyl)indolizine-2-carboxylate?
methyl 5-(3-methylphenyl)indolizine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methylphenyl)indolizine-2-carboxylate is sourced from PubChem (CID 141361015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).