2,7-dihydro-1H-indolizin-3-one

C8H9NO — CID 13128361

IUPAC2,7-dihydro-1H-indolizin-3-one
SMILESO=C1CCC2=CCC=CN12
InChIInChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2-3,6H,1,4-5H2
InChIKeyQNHLRUSLGYXFFQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.41
Rot. Bonds

About 2,7-dihydro-1H-indolizin-3-one

2,7-dihydro-1H-indolizin-3-one (PubChem CID 13128361) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,7-dihydro-1H-indolizin-3-one.

Molecular Properties

Compound Name2,7-dihydro-1H-indolizin-3-one
PubChem CID13128361
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,7-dihydro-1H-indolizin-3-one
SMILESO=C1CCC2=CCC=CN12
InChIInChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2-3,6H,1,4-5H2
InChIKeyQNHLRUSLGYXFFQ-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydro-1H-indolizin-3-one?
The IUPAC name of 2,7-dihydro-1H-indolizin-3-one (CID 13128361) is 2,7-dihydro-1H-indolizin-3-one.
What is the SMILES notation for 2,7-dihydro-1H-indolizin-3-one?
The canonical SMILES for 2,7-dihydro-1H-indolizin-3-one is O=C1CCC2=CCC=CN12.
What is the InChIKey of 2,7-dihydro-1H-indolizin-3-one?
The InChIKey is QNHLRUSLGYXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2-3,6H,1,4-5H2.
What are the key properties of 2,7-dihydro-1H-indolizin-3-one?
2,7-dihydro-1H-indolizin-3-one has a molecular weight of 135.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-1H-indolizin-3-one is sourced from PubChem (CID 13128361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).