6,7-dihydro-5H-indolizin-8-one

C8H9NO — CID 11182632

IUPAC6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCCn2cccc21
InChIInChI=1S/C8H9NO/c10-8-4-2-6-9-5-1-3-7(8)9/h1,3,5H,2,4,6H2
InChIKeyJHDCRSBRRZPACW-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.46
Rot. Bonds

About 6,7-dihydro-5H-indolizin-8-one

6,7-dihydro-5H-indolizin-8-one (PubChem CID 11182632) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name6,7-dihydro-5H-indolizin-8-one
PubChem CID11182632
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCCn2cccc21
InChIInChI=1S/C8H9NO/c10-8-4-2-6-9-5-1-3-7(8)9/h1,3,5H,2,4,6H2
InChIKeyJHDCRSBRRZPACW-UHFFFAOYSA-N
XLogP1.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 6,7-dihydro-5H-indolizin-8-one (CID 11182632) is 6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 6,7-dihydro-5H-indolizin-8-one is O=C1CCCn2cccc21.
What is the InChIKey of 6,7-dihydro-5H-indolizin-8-one?
The InChIKey is JHDCRSBRRZPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-4-2-6-9-5-1-3-7(8)9/h1,3,5H,2,4,6H2.
What are the key properties of 6,7-dihydro-5H-indolizin-8-one?
6,7-dihydro-5H-indolizin-8-one has a molecular weight of 135.17 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 11182632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).