ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate

C19H17NO3 — CID 154722668

IUPACethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C=O)c(-c2ccccc2)n2c(C)cccc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)17-15(12-21)18(14-9-5-4-6-10-14)20-13(2)8-7-11-16(17)20/h4-12H,3H2,1-2H3
InChIKeyVYDARQDPWZCUQZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.90
Rot. Bonds4

About ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate

ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate (PubChem CID 154722668) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate
PubChem CID154722668
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C=O)c(-c2ccccc2)n2c(C)cccc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)17-15(12-21)18(14-9-5-4-6-10-14)20-13(2)8-7-11-16(17)20/h4-12H,3H2,1-2H3
InChIKeyVYDARQDPWZCUQZ-UHFFFAOYSA-N
XLogP3.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate;5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 161241364
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
ethyl 3-benzoyl-4-formyl-2-phenylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 102460014
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethyl 3-formyl-2-(2-oxopropyl)azulene-1-carboxylate
CID 102293863
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate?
The IUPAC name of ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate (CID 154722668) is ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate is CCOC(=O)c1c(C=O)c(-c2ccccc2)n2c(C)cccc12.
What is the InChIKey of ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate?
The InChIKey is VYDARQDPWZCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-19(22)17-15(12-21)18(14-9-5-4-6-10-14)20-13(2)8-7-11-16(17)20/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate?
ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-5-methyl-3-phenylindolizine-1-carboxylate is sourced from PubChem (CID 154722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).