(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one

C20H15ClN2O — CID 10019821

IUPAC(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one
SMILESO=C1/C(=C\c2cccnc2)C(c2ccc(Cl)cc2)Cn2cccc21
InChIInChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)18-13-23-10-2-4-19(23)20(24)17(18)11-14-3-1-9-22-12-14/h1-12,18H,13H2/b17-11-
InChIKeyUQXVMFWGYFYXDC-BOPFTXTBSA-N
MW334.81 g/mol
LogP4.60
Rot. Bonds2

About (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one

(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one (PubChem CID 10019821) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one.

Molecular Properties

Compound Name(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one
PubChem CID10019821
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one
SMILESO=C1/C(=C\c2cccnc2)C(c2ccc(Cl)cc2)Cn2cccc21
InChIInChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)18-13-23-10-2-4-19(23)20(24)17(18)11-14-3-1-9-22-12-14/h1-12,18H,13H2/b17-11-
InChIKeyUQXVMFWGYFYXDC-BOPFTXTBSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one?
The IUPAC name of (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one (CID 10019821) is (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one.
What is the SMILES notation for (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one?
The canonical SMILES for (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one is O=C1/C(=C\c2cccnc2)C(c2ccc(Cl)cc2)Cn2cccc21.
What is the InChIKey of (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one?
The InChIKey is UQXVMFWGYFYXDC-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)18-13-23-10-2-4-19(23)20(24)17(18)11-14-3-1-9-22-12-14/h1-12,18H,13H2/b17-11-.
What are the key properties of (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one?
(7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one has a molecular weight of 334.81 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one is sourced from PubChem (CID 10019821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).