ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate

C19H16ClNO2 — CID 142749731

IUPACethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2Cl)n2ccccc12
InChIInChI=1S/C19H16ClNO2/c1-2-23-19(22)16-13-15(21-12-6-5-9-18(16)21)11-10-14-7-3-4-8-17(14)20/h3-13H,2H2,1H3/b11-10+
InChIKeyRDNDVEJOXWSHLU-ZHACJKMWSA-N
MW325.80 g/mol
LogP4.94
Rot. Bonds4

About ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate

ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate (PubChem CID 142749731) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
PubChem CID142749731
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Nameethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2Cl)n2ccccc12
InChIInChI=1S/C19H16ClNO2/c1-2-23-19(22)16-13-15(21-12-6-5-9-18(16)21)11-10-14-7-3-4-8-17(14)20/h3-13H,2H2,1H3/b11-10+
InChIKeyRDNDVEJOXWSHLU-ZHACJKMWSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate 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-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate (CID 142749731) is ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate is CCOC(=O)c1cc(/C=C/c2ccccc2Cl)n2ccccc12.
What is the InChIKey of ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate?
The InChIKey is RDNDVEJOXWSHLU-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-2-23-19(22)16-13-15(21-12-6-5-9-18(16)21)11-10-14-7-3-4-8-17(14)20/h3-13H,2H2,1H3/b11-10+.
What are the key properties of ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate?
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate is sourced from PubChem (CID 142749731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).