ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate

C20H21NO3 — CID 10496150

IUPACethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C20H21NO3/c1-3-16-13-21-12-8-11-17(19(21)18(16)20(22)23-4-2)24-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3
InChIKeyTZXOQTHKRNHJGT-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.26
Rot. Bonds6

About ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate

ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate (PubChem CID 10496150) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate
PubChem CID10496150
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C20H21NO3/c1-3-16-13-21-12-8-11-17(19(21)18(16)20(22)23-4-2)24-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3
InChIKeyTZXOQTHKRNHJGT-UHFFFAOYSA-N
XLogP4.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate (CID 10496150) is ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate is CCOC(=O)c1c(CC)cn2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate?
The InChIKey is TZXOQTHKRNHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-16-13-21-12-8-11-17(19(21)18(16)20(22)23-4-2)24-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate?
ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-8-phenylmethoxyindolizine-1-carboxylate is sourced from PubChem (CID 10496150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).