ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C12H15NO3 — CID 126500883

IUPACethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCOC(=O)C1CCc2cc(C)cc(=O)n21
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)10-5-4-9-6-8(2)7-11(14)13(9)10/h6-7,10H,3-5H2,1-2H3
InChIKeyFPERBZGTPGDEIP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.21
Rot. Bonds2

About ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 126500883) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID126500883
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCCOC(=O)C1CCc2cc(C)cc(=O)n21
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)10-5-4-9-6-8(2)7-11(14)13(9)10/h6-7,10H,3-5H2,1-2H3
InChIKeyFPERBZGTPGDEIP-UHFFFAOYSA-N
XLogP1.21
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 126500883) is ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CCOC(=O)C1CCc2cc(C)cc(=O)n21.
What is the InChIKey of ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is FPERBZGTPGDEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-12(15)10-5-4-9-6-8(2)7-11(14)13(9)10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 126500883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).