indolizine-5,8-dione

C8H5NO2 — CID 67810781

IUPACindolizine-5,8-dione
SMILESO=C1C=CC(=O)n2cccc21
InChIInChI=1S/C8H5NO2/c10-7-3-4-8(11)9-5-1-2-6(7)9/h1-5H
InChIKeyCIAIOJIPTLXZNO-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.88
Rot. Bonds

About indolizine-5,8-dione

indolizine-5,8-dione (PubChem CID 67810781) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is indolizine-5,8-dione.

Molecular Properties

Compound Nameindolizine-5,8-dione
PubChem CID67810781
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Nameindolizine-5,8-dione
SMILESO=C1C=CC(=O)n2cccc21
InChIInChI=1S/C8H5NO2/c10-7-3-4-8(11)9-5-1-2-6(7)9/h1-5H
InChIKeyCIAIOJIPTLXZNO-UHFFFAOYSA-N
XLogP0.88
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of indolizine-5,8-dione?
The IUPAC name of indolizine-5,8-dione (CID 67810781) is indolizine-5,8-dione.
What is the SMILES notation for indolizine-5,8-dione?
The canonical SMILES for indolizine-5,8-dione is O=C1C=CC(=O)n2cccc21.
What is the InChIKey of indolizine-5,8-dione?
The InChIKey is CIAIOJIPTLXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-7-3-4-8(11)9-5-1-2-6(7)9/h1-5H.
What are the key properties of indolizine-5,8-dione?
indolizine-5,8-dione has a molecular weight of 147.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-5,8-dione is sourced from PubChem (CID 67810781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).