ethyl 3-(18O)benzoylindolizine-1-carboxylate

C18H15NO3 — CID 154722794

IUPACethyl 3-(18O)benzoylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=[18O])c2ccccc2)n2ccccc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)14-12-16(19-11-7-6-10-15(14)19)17(20)13-8-4-3-5-9-13/h3-12H,2H2,1H3/i20+2
InChIKeyCYCGYQHBFZTOIM-ZWXVIAAOSA-N
MW295.32 g/mol
LogP3.35
Rot. Bonds4

About ethyl 3-(18O)benzoylindolizine-1-carboxylate

ethyl 3-(18O)benzoylindolizine-1-carboxylate (PubChem CID 154722794) has the molecular formula C18H15NO3 and a molecular weight of 295.32 g/mol. Its IUPAC name is ethyl 3-(18O)benzoylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(18O)benzoylindolizine-1-carboxylate
PubChem CID154722794
Molecular FormulaC18H15NO3
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Nameethyl 3-(18O)benzoylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=[18O])c2ccccc2)n2ccccc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)14-12-16(19-11-7-6-10-15(14)19)17(20)13-8-4-3-5-9-13/h3-12H,2H2,1H3/i20+2
InChIKeyCYCGYQHBFZTOIM-ZWXVIAAOSA-N
XLogP3.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(18O)benzoylindolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043507
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
CID 600176
ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
CID 146270558
ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate
CID 44720421

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(18O)benzoylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-(18O)benzoylindolizine-1-carboxylate (CID 154722794) is ethyl 3-(18O)benzoylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(18O)benzoylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(18O)benzoylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=[18O])c2ccccc2)n2ccccc12.
What is the InChIKey of ethyl 3-(18O)benzoylindolizine-1-carboxylate?
The InChIKey is CYCGYQHBFZTOIM-ZWXVIAAOSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)14-12-16(19-11-7-6-10-15(14)19)17(20)13-8-4-3-5-9-13/h3-12H,2H2,1H3/i20+2.
What are the key properties of ethyl 3-(18O)benzoylindolizine-1-carboxylate?
ethyl 3-(18O)benzoylindolizine-1-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(18O)benzoylindolizine-1-carboxylate is sourced from PubChem (CID 154722794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).