methyl 5-methylindolizine-8-carboxylate

C11H11NO2 — CID 134433925

IUPACmethyl 5-methylindolizine-8-carboxylate
SMILESCOC(=O)c1ccc(C)n2cccc12
InChIInChI=1S/C11H11NO2/c1-8-5-6-9(11(13)14-2)10-4-3-7-12(8)10/h3-7H,1-2H3
InChIKeyLTAIZYVHIIZNAO-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.03
Rot. Bonds1

About methyl 5-methylindolizine-8-carboxylate

methyl 5-methylindolizine-8-carboxylate (PubChem CID 134433925) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 5-methylindolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylindolizine-8-carboxylate
PubChem CID134433925
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 5-methylindolizine-8-carboxylate
SMILESCOC(=O)c1ccc(C)n2cccc12
InChIInChI=1S/C11H11NO2/c1-8-5-6-9(11(13)14-2)10-4-3-7-12(8)10/h3-7H,1-2H3
InChIKeyLTAIZYVHIIZNAO-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-formylindolizine-8-carboxylate
CID 86685513
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 2,5-dimethylindolizine-1-carboxylate
CID 121000758
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 2-(2,5-dimethylpyrrol-1-yl)-4-formylbenzoate
CID 90154930
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
CID 83836379
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 101390066

Frequently Asked Questions

What is the IUPAC name of methyl 5-methylindolizine-8-carboxylate?
The IUPAC name of methyl 5-methylindolizine-8-carboxylate (CID 134433925) is methyl 5-methylindolizine-8-carboxylate.
What is the SMILES notation for methyl 5-methylindolizine-8-carboxylate?
The canonical SMILES for methyl 5-methylindolizine-8-carboxylate is COC(=O)c1ccc(C)n2cccc12.
What is the InChIKey of methyl 5-methylindolizine-8-carboxylate?
The InChIKey is LTAIZYVHIIZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-5-6-9(11(13)14-2)10-4-3-7-12(8)10/h3-7H,1-2H3.
What are the key properties of methyl 5-methylindolizine-8-carboxylate?
methyl 5-methylindolizine-8-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylindolizine-8-carboxylate is sourced from PubChem (CID 134433925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).