ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate

C18H13Cl2NO3 — CID 3816336

IUPACethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)c(C=O)n2ccccc12
InChIInChI=1S/C18H13Cl2NO3/c1-2-24-18(23)17-14-5-3-4-8-21(14)15(10-22)16(17)12-7-6-11(19)9-13(12)20/h3-10H,2H2,1H3
InChIKeyWBZWMYGCSNXXOY-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.90
Rot. Bonds4

About ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate

ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate (PubChem CID 3816336) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
PubChem CID3816336
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2Cl)c(C=O)n2ccccc12
InChIInChI=1S/C18H13Cl2NO3/c1-2-24-18(23)17-14-5-3-4-8-21(14)15(10-22)16(17)12-7-6-11(19)9-13(12)20/h3-10H,2H2,1H3
InChIKeyWBZWMYGCSNXXOY-UHFFFAOYSA-N
XLogP4.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.90
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 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050
ethyl 2-(2-chloro-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3839129
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589
ethyl 2-(5-chloro-2,4-dimethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3338828
ethyl 2-(5-chloro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3697203
ethyl 2-(4-ethoxy-2-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3830704
ethyl 2-(2-bromo-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3788473
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3400670
ethyl 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3559256
ethyl 2-(2,4-dichlorophenyl)-1-nitroindolizine-3-carboxylate
CID 50901568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate (CID 3816336) is ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)c(C=O)n2ccccc12.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate?
The InChIKey is WBZWMYGCSNXXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-2-24-18(23)17-14-5-3-4-8-21(14)15(10-22)16(17)12-7-6-11(19)9-13(12)20/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate?
ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate has a molecular weight of 362.21 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate is sourced from PubChem (CID 3816336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).