2,3,5,8a-tetrahydro-1H-indolizin-8-one

C8H11NO — CID 89287856

IUPAC2,3,5,8a-tetrahydro-1H-indolizin-8-one
SMILESO=C1C=CCN2CCCC12
InChIInChI=1S/C8H11NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7H,1,3,5-6H2
InChIKeyKGIVYSVZWVOZKO-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.59
Rot. Bonds

About 2,3,5,8a-tetrahydro-1H-indolizin-8-one

2,3,5,8a-tetrahydro-1H-indolizin-8-one (PubChem CID 89287856) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,3,5,8a-tetrahydro-1H-indolizin-8-one.

Molecular Properties

Compound Name2,3,5,8a-tetrahydro-1H-indolizin-8-one
PubChem CID89287856
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,3,5,8a-tetrahydro-1H-indolizin-8-one
SMILESO=C1C=CCN2CCCC12
InChIInChI=1S/C8H11NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7H,1,3,5-6H2
InChIKeyKGIVYSVZWVOZKO-UHFFFAOYSA-N
XLogP0.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,8a-tetrahydro-1H-indolizin-8-one?
The IUPAC name of 2,3,5,8a-tetrahydro-1H-indolizin-8-one (CID 89287856) is 2,3,5,8a-tetrahydro-1H-indolizin-8-one.
What is the SMILES notation for 2,3,5,8a-tetrahydro-1H-indolizin-8-one?
The canonical SMILES for 2,3,5,8a-tetrahydro-1H-indolizin-8-one is O=C1C=CCN2CCCC12.
What is the InChIKey of 2,3,5,8a-tetrahydro-1H-indolizin-8-one?
The InChIKey is KGIVYSVZWVOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7H,1,3,5-6H2.
What are the key properties of 2,3,5,8a-tetrahydro-1H-indolizin-8-one?
2,3,5,8a-tetrahydro-1H-indolizin-8-one has a molecular weight of 137.18 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8a-tetrahydro-1H-indolizin-8-one is sourced from PubChem (CID 89287856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).