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

C19H19NO4 — CID 10734839

IUPACethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(OC)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H19NO4/c1-3-23-19(21)17-16(22-2)12-20-11-7-10-15(18(17)20)24-13-14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyKXZMVZFYMSFDKE-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.70
Rot. Bonds6

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

ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate (PubChem CID 10734839) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate
PubChem CID10734839
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(OC)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H19NO4/c1-3-23-19(21)17-16(22-2)12-20-11-7-10-15(18(17)20)24-13-14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyKXZMVZFYMSFDKE-UHFFFAOYSA-N
XLogP3.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate?
The IUPAC name of ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate (CID 10734839) is ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate is CCOC(=O)c1c(OC)cn2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate?
The InChIKey is KXZMVZFYMSFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-23-19(21)17-16(22-2)12-20-11-7-10-15(18(17)20)24-13-14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate?
ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-8-phenylmethoxyindolizine-1-carboxylate is sourced from PubChem (CID 10734839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).