methyl 3-propylindolizine-2-carboxylate

C13H15NO2 — CID 155255239

IUPACmethyl 3-propylindolizine-2-carboxylate
SMILESCCCc1c(C(=O)OC)cc2ccccn12
InChIInChI=1S/C13H15NO2/c1-3-6-12-11(13(15)16-2)9-10-7-4-5-8-14(10)12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJOIWNJXXZKJZFR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.68
Rot. Bonds3

About methyl 3-propylindolizine-2-carboxylate

methyl 3-propylindolizine-2-carboxylate (PubChem CID 155255239) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 3-propylindolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-propylindolizine-2-carboxylate
PubChem CID155255239
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl 3-propylindolizine-2-carboxylate
SMILESCCCc1c(C(=O)OC)cc2ccccn12
InChIInChI=1S/C13H15NO2/c1-3-6-12-11(13(15)16-2)9-10-7-4-5-8-14(10)12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyJOIWNJXXZKJZFR-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
methane;methyl 2-propylbenzoate
CID 167647144
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 11608760
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate
CID 11615623
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(3-ethylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoate
CID 123789390
methyl 2-propylfuran-3-carboxylate
CID 15686850
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 3-propylindolizine-2-carboxylate?
The IUPAC name of methyl 3-propylindolizine-2-carboxylate (CID 155255239) is methyl 3-propylindolizine-2-carboxylate.
What is the SMILES notation for methyl 3-propylindolizine-2-carboxylate?
The canonical SMILES for methyl 3-propylindolizine-2-carboxylate is CCCc1c(C(=O)OC)cc2ccccn12.
What is the InChIKey of methyl 3-propylindolizine-2-carboxylate?
The InChIKey is JOIWNJXXZKJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-6-12-11(13(15)16-2)9-10-7-4-5-8-14(10)12/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of methyl 3-propylindolizine-2-carboxylate?
methyl 3-propylindolizine-2-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propylindolizine-2-carboxylate is sourced from PubChem (CID 155255239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).