ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate

C19H15Cl2NO2 — CID 142749732

IUPACethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc(Cl)c(Cl)c2)n2ccccc12
InChIInChI=1S/C19H15Cl2NO2/c1-2-24-19(23)15-12-14(22-10-4-3-5-18(15)22)8-6-13-7-9-16(20)17(21)11-13/h3-12H,2H2,1H3/b8-6+
InChIKeyKMDRBVQPNYZXJO-SOFGYWHQSA-N
MW360.24 g/mol
LogP5.59
Rot. Bonds4

About ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate

ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate (PubChem CID 142749732) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate
PubChem CID142749732
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Nameethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc(Cl)c(Cl)c2)n2ccccc12
InChIInChI=1S/C19H15Cl2NO2/c1-2-24-19(23)15-12-14(22-10-4-3-5-18(15)22)8-6-13-7-9-16(20)17(21)11-13/h3-12H,2H2,1H3/b8-6+
InChIKeyKMDRBVQPNYZXJO-SOFGYWHQSA-N
XLogP5.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate (CID 142749732) is ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate is CCOC(=O)c1cc(/C=C/c2ccc(Cl)c(Cl)c2)n2ccccc12.
What is the InChIKey of ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate?
The InChIKey is KMDRBVQPNYZXJO-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-2-24-19(23)15-12-14(22-10-4-3-5-18(15)22)8-6-13-7-9-16(20)17(21)11-13/h3-12H,2H2,1H3/b8-6+.
What are the key properties of ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate?
ethyl 3-[(E)-2-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate has a molecular weight of 360.24 g/mol, XLogP of 5.59, 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-(3,4-dichlorophenyl)ethenyl]indolizine-1-carboxylate is sourced from PubChem (CID 142749732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).