ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate

C17H14ClNO2 — CID 3772753

IUPACethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C17H14ClNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3
InChIKeyZSUXMLKUZFNAQX-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.44
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate

ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate (PubChem CID 3772753) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
PubChem CID3772753
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Nameethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12
InChIInChI=1S/C17H14ClNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3
InChIKeyZSUXMLKUZFNAQX-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate (CID 3772753) is ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12.
What is the InChIKey of ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
The InChIKey is ZSUXMLKUZFNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate?
ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate has a molecular weight of 299.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate is sourced from PubChem (CID 3772753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).