ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate

C18H14ClNO3 — CID 3706589

IUPACethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)c(C=O)n2ccccc12
InChIInChI=1S/C18H14ClNO3/c1-2-23-18(22)17-14-5-3-4-10-20(14)15(11-21)16(17)12-6-8-13(19)9-7-12/h3-11H,2H2,1H3
InChIKeyJGVYVWOMYAUKMA-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.25
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate

ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate (PubChem CID 3706589) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
PubChem CID3706589
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Nameethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)c(C=O)n2ccccc12
InChIInChI=1S/C18H14ClNO3/c1-2-23-18(22)17-14-5-3-4-10-20(14)15(11-21)16(17)12-6-8-13(19)9-7-12/h3-11H,2H2,1H3
InChIKeyJGVYVWOMYAUKMA-UHFFFAOYSA-N
XLogP4.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.25
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 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483
ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
CID 3816336
ethyl 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050
ethyl 2-(2-chloro-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3839129
ethyl 2-[3,5-di(butan-2-yl)-4-methoxyphenyl]-3-formylindolizine-1-carboxylate
CID 3555463
ethyl 2-(5-chloro-2,4-dimethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3338828
ethyl 2-(3-tert-butyl-4-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3817176
ethyl 2-(3-tert-butyl-4-methoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3693687
ethyl 2-(5-chloro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3697203
ethyl 2-(3-ethyl-4-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 5204233
ethyl 2-(2-bromo-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3788473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate (CID 3706589) is ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C=O)n2ccccc12.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate?
The InChIKey is JGVYVWOMYAUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-2-23-18(22)17-14-5-3-4-10-20(14)15(11-21)16(17)12-6-8-13(19)9-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate?
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate is sourced from PubChem (CID 3706589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).