ethyl 5,6-dihydroindolizine-7-carboxylate

C11H13NO2 — CID 24972449

IUPACethyl 5,6-dihydroindolizine-7-carboxylate
SMILESCCOC(=O)C1=Cc2cccn2CC1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-5-7-12-6-3-4-10(12)8-9/h3-4,6,8H,2,5,7H2,1H3
InChIKeyQOMPKEXCHROPHZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds2

About ethyl 5,6-dihydroindolizine-7-carboxylate

ethyl 5,6-dihydroindolizine-7-carboxylate (PubChem CID 24972449) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 5,6-dihydroindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dihydroindolizine-7-carboxylate
PubChem CID24972449
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 5,6-dihydroindolizine-7-carboxylate
SMILESCCOC(=O)C1=Cc2cccn2CC1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-5-7-12-6-3-4-10(12)8-9/h3-4,6,8H,2,5,7H2,1H3
InChIKeyQOMPKEXCHROPHZ-UHFFFAOYSA-N
XLogP1.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5,6-dihydroimidazo[1,5-a]pyridine-7-carboxylate
CID 10750263
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate
CID 57271487
ethyl 2,3-dihydro-1-benzothiepine-4-carboxylate
CID 11481719
ethyl 1-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-4-carboxylate
CID 3304100
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
1-O-tert-butyl 4-O-ethyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 11806783
ethyl 1H-indene-2-carboxylate
CID 15378309
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1-benzofuran-2-carboxylate
CID 47010837

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dihydroindolizine-7-carboxylate?
The IUPAC name of ethyl 5,6-dihydroindolizine-7-carboxylate (CID 24972449) is ethyl 5,6-dihydroindolizine-7-carboxylate.
What is the SMILES notation for ethyl 5,6-dihydroindolizine-7-carboxylate?
The canonical SMILES for ethyl 5,6-dihydroindolizine-7-carboxylate is CCOC(=O)C1=Cc2cccn2CC1.
What is the InChIKey of ethyl 5,6-dihydroindolizine-7-carboxylate?
The InChIKey is QOMPKEXCHROPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)9-5-7-12-6-3-4-10(12)8-9/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of ethyl 5,6-dihydroindolizine-7-carboxylate?
ethyl 5,6-dihydroindolizine-7-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dihydroindolizine-7-carboxylate is sourced from PubChem (CID 24972449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).