(2,3-diphenylindolizin-1-yl) acetate

C22H17NO2 — CID 15573733

IUPAC(2,3-diphenylindolizin-1-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccccc12
InChIInChI=1S/C22H17NO2/c1-16(24)25-22-19-14-8-9-15-23(19)21(18-12-6-3-7-13-18)20(22)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyJZVDKXFZXDFLFH-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.20
Rot. Bonds3

About (2,3-diphenylindolizin-1-yl) acetate

(2,3-diphenylindolizin-1-yl) acetate (PubChem CID 15573733) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2,3-diphenylindolizin-1-yl) acetate.

Molecular Properties

Compound Name(2,3-diphenylindolizin-1-yl) acetate
PubChem CID15573733
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(2,3-diphenylindolizin-1-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccccc12
InChIInChI=1S/C22H17NO2/c1-16(24)25-22-19-14-8-9-15-23(19)21(18-12-6-3-7-13-18)20(22)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyJZVDKXFZXDFLFH-UHFFFAOYSA-N
XLogP5.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylindolizin-1-yl) acetate?
The IUPAC name of (2,3-diphenylindolizin-1-yl) acetate (CID 15573733) is (2,3-diphenylindolizin-1-yl) acetate.
What is the SMILES notation for (2,3-diphenylindolizin-1-yl) acetate?
The canonical SMILES for (2,3-diphenylindolizin-1-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccccc12.
What is the InChIKey of (2,3-diphenylindolizin-1-yl) acetate?
The InChIKey is JZVDKXFZXDFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-16(24)25-22-19-14-8-9-15-23(19)21(18-12-6-3-7-13-18)20(22)17-10-4-2-5-11-17/h2-15H,1H3.
What are the key properties of (2,3-diphenylindolizin-1-yl) acetate?
(2,3-diphenylindolizin-1-yl) acetate has a molecular weight of 327.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylindolizin-1-yl) acetate is sourced from PubChem (CID 15573733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).