3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate

C13H13NO4 — CID 14688916

IUPAC3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)c2ccccn12
InChIInChI=1S/C13H13NO4/c1-3-18-13(16)11-8-9(12(15)17-2)10-6-4-5-7-14(10)11/h4-8H,3H2,1-2H3
InChIKeyNZMFTZASWXTORG-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.90
Rot. Bonds3

About 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate

3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate (PubChem CID 14688916) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate
PubChem CID14688916
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)c2ccccn12
InChIInChI=1S/C13H13NO4/c1-3-18-13(16)11-8-9(12(15)17-2)10-6-4-5-7-14(10)11/h4-8H,3H2,1-2H3
InChIKeyNZMFTZASWXTORG-UHFFFAOYSA-N
XLogP1.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dipropyl isocinchomeronate
CID 8693
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Trimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
CID 628301
Dimethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrrole-2,4-dicarboxylate
CID 3443305
dimethyl 1-(4-fluorobenzyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
CID 3727856
ethyl 1-ethyl-3-formyl-1H-indole-2-carboxylate
CID 5236937
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
Ethyl 2-phenylindolizine-1-carboxylate
CID 3540091
ethyl 1-methyl-1H-indole-2-carboxylate
CID 143368

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate (CID 14688916) is 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate is CCOC(=O)c1cc(C(=O)OC)c2ccccn12.
What is the InChIKey of 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate?
The InChIKey is NZMFTZASWXTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-18-13(16)11-8-9(12(15)17-2)10-6-4-5-7-14(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl indolizine-1,3-dicarboxylate is sourced from PubChem (CID 14688916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).