ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate

C16H23NO3 — CID 25229384

IUPACethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
SMILESCCOC(=O)CCC1(CC)CCCn2c(C=O)ccc21
InChIInChI=1S/C16H23NO3/c1-3-16(10-8-15(19)20-4-2)9-5-11-17-13(12-18)6-7-14(16)17/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyLOYHGTYMAMJFII-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds6

About ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate

ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate (PubChem CID 25229384) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
PubChem CID25229384
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
SMILESCCOC(=O)CCC1(CC)CCCn2c(C=O)ccc21
InChIInChI=1S/C16H23NO3/c1-3-16(10-8-15(19)20-4-2)9-5-11-17-13(12-18)6-7-14(16)17/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyLOYHGTYMAMJFII-UHFFFAOYSA-N
XLogP3.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate 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 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The IUPAC name of ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate (CID 25229384) is ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate.
What is the SMILES notation for ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The canonical SMILES for ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate is CCOC(=O)CCC1(CC)CCCn2c(C=O)ccc21.
What is the InChIKey of ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The InChIKey is LOYHGTYMAMJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-16(10-8-15(19)20-4-2)9-5-11-17-13(12-18)6-7-14(16)17/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate has a molecular weight of 277.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate is sourced from PubChem (CID 25229384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).