8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one

C17H16ClNO3 — CID 71734869

IUPAC8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)cc1-c1cc(C(C)=O)c2n(c1=O)CCC2
InChIInChI=1S/C17H16ClNO3/c1-10(20)12-9-14(17(21)19-7-3-4-15(12)19)13-8-11(18)5-6-16(13)22-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZEIGGSXQAUWWLP-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.33
Rot. Bonds3

About 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one

8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 71734869) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one
PubChem CID71734869
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)cc1-c1cc(C(C)=O)c2n(c1=O)CCC2
InChIInChI=1S/C17H16ClNO3/c1-10(20)12-9-14(17(21)19-7-3-4-15(12)19)13-8-11(18)5-6-16(13)22-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZEIGGSXQAUWWLP-UHFFFAOYSA-N
XLogP3.33
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one (CID 71734869) is 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one is COc1ccc(Cl)cc1-c1cc(C(C)=O)c2n(c1=O)CCC2.
What is the InChIKey of 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is ZEIGGSXQAUWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10(20)12-9-14(17(21)19-7-3-4-15(12)19)13-8-11(18)5-6-16(13)22-2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one?
8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 317.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-6-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 71734869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).