ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate

C16H17NO5 — CID 67036529

IUPACethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(COC(C)=O)ccn2c1C(C)=O
InChIInChI=1S/C16H17NO5/c1-4-21-16(20)14-8-13-7-12(9-22-11(3)19)5-6-17(13)15(14)10(2)18/h5-8H,4,9H2,1-3H3
InChIKeyPLXJKMIPGPOJNC-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.38
Rot. Bonds5

About ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate

ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate (PubChem CID 67036529) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate
PubChem CID67036529
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Nameethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(COC(C)=O)ccn2c1C(C)=O
InChIInChI=1S/C16H17NO5/c1-4-21-16(20)14-8-13-7-12(9-22-11(3)19)5-6-17(13)15(14)10(2)18/h5-8H,4,9H2,1-3H3
InChIKeyPLXJKMIPGPOJNC-UHFFFAOYSA-N
XLogP2.38
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-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 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate
CID 71173992
ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158
ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946
ethyl 8-amino-4-oxoquinolizine-3-carboxylate
CID 20634156
ethyl 2,3-dibromoindolizine-7-carboxylate
CID 102279056
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate (CID 67036529) is ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate is CCOC(=O)c1cc2cc(COC(C)=O)ccn2c1C(C)=O.
What is the InChIKey of ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate?
The InChIKey is PLXJKMIPGPOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-21-16(20)14-8-13-7-12(9-22-11(3)19)5-6-17(13)15(14)10(2)18/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate?
ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate is sourced from PubChem (CID 67036529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).