ethyl 3-ethylindolizine-1-carboxylate

C13H15NO2 — CID 3747254

IUPACethyl 3-ethylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(CC)n2ccccc12
InChIInChI=1S/C13H15NO2/c1-3-10-9-11(13(15)16-4-2)12-7-5-6-8-14(10)12/h5-9H,3-4H2,1-2H3
InChIKeyYRKPJMKPZSORHZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.68
Rot. Bonds3

About ethyl 3-ethylindolizine-1-carboxylate

ethyl 3-ethylindolizine-1-carboxylate (PubChem CID 3747254) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 3-ethylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethylindolizine-1-carboxylate
PubChem CID3747254
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 3-ethylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(CC)n2ccccc12
InChIInChI=1S/C13H15NO2/c1-3-10-9-11(13(15)16-4-2)12-7-5-6-8-14(10)12/h5-9H,3-4H2,1-2H3
InChIKeyYRKPJMKPZSORHZ-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 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033
ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
CID 146270558
ethyl 3-[(S)-anilino-(4-methylphenyl)methyl]indolizine-1-carboxylate
CID 146270144
ethyl 3-[(S)-(3,5-dimethylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270137
ethyl 2-[[1-(dimethylcarbamoyl)indolizin-3-yl]methyl]prop-2-enoate
CID 139256735
3-phenylpropyl 3-[1-(3-phenylpropoxycarbonyl)indolizin-3-yl]indolizine-1-carboxylate
CID 25189123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-ethylindolizine-1-carboxylate (CID 3747254) is ethyl 3-ethylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-ethylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-ethylindolizine-1-carboxylate is CCOC(=O)c1cc(CC)n2ccccc12.
What is the InChIKey of ethyl 3-ethylindolizine-1-carboxylate?
The InChIKey is YRKPJMKPZSORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-9-11(13(15)16-4-2)12-7-5-6-8-14(10)12/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethylindolizine-1-carboxylate?
ethyl 3-ethylindolizine-1-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 ethyl 3-ethylindolizine-1-carboxylate is sourced from PubChem (CID 3747254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).