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

C15H21NO3 — CID 11032716

IUPACmethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
SMILESCCC1(CCC(=O)OC)CCCn2c(C=O)ccc21
InChIInChI=1S/C15H21NO3/c1-3-15(9-7-14(18)19-2)8-4-10-16-12(11-17)5-6-13(15)16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKEVSHWZPOFKIMY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds5

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

methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate (PubChem CID 11032716) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
PubChem CID11032716
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate
SMILESCCC1(CCC(=O)OC)CCCn2c(C=O)ccc21
InChIInChI=1S/C15H21NO3/c1-3-15(9-7-14(18)19-2)8-4-10-16-12(11-17)5-6-13(15)16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKEVSHWZPOFKIMY-UHFFFAOYSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The IUPAC name of methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate (CID 11032716) is methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate.
What is the SMILES notation for methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The canonical SMILES for methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate is CCC1(CCC(=O)OC)CCCn2c(C=O)ccc21.
What is the InChIKey of methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
The InChIKey is KEVSHWZPOFKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(9-7-14(18)19-2)8-4-10-16-12(11-17)5-6-13(15)16/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate?
methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-ethyl-3-formyl-6,7-dihydro-5H-indolizin-8-yl)propanoate is sourced from PubChem (CID 11032716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).