indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate

C19H14N2O3 — CID 174741309

IUPACindolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate
SMILESO=C(CC(=O)c1ccc2[nH]ccc2c1)Oc1ccn2ccccc12
InChIInChI=1S/C19H14N2O3/c22-17(14-4-5-15-13(11-14)6-8-20-15)12-19(23)24-18-7-10-21-9-2-1-3-16(18)21/h1-11,20H,12H2
InChIKeyYDJLMCXUKRJZOE-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.60
Rot. Bonds4

About indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate

indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate (PubChem CID 174741309) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate.

Molecular Properties

Compound Nameindolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate
PubChem CID174741309
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Nameindolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate
SMILESO=C(CC(=O)c1ccc2[nH]ccc2c1)Oc1ccn2ccccc12
InChIInChI=1S/C19H14N2O3/c22-17(14-4-5-15-13(11-14)6-8-20-15)12-19(23)24-18-7-10-21-9-2-1-3-16(18)21/h1-11,20H,12H2
InChIKeyYDJLMCXUKRJZOE-UHFFFAOYSA-N
XLogP3.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate?
The IUPAC name of indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate (CID 174741309) is indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate.
What is the SMILES notation for indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate?
The canonical SMILES for indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate is O=C(CC(=O)c1ccc2[nH]ccc2c1)Oc1ccn2ccccc12.
What is the InChIKey of indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate?
The InChIKey is YDJLMCXUKRJZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-17(14-4-5-15-13(11-14)6-8-20-15)12-19(23)24-18-7-10-21-9-2-1-3-16(18)21/h1-11,20H,12H2.
What are the key properties of indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate?
indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate has a molecular weight of 318.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-1-yl 3-(1H-indol-5-yl)-3-oxopropanoate is sourced from PubChem (CID 174741309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).