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

C8H11NO — CID 58724371

IUPAC3,5,8,8a-tetrahydro-1H-indolizin-2-one
SMILESO=C1CC2CC=CCN2C1
InChIInChI=1S/C8H11NO/c10-8-5-7-3-1-2-4-9(7)6-8/h1-2,7H,3-6H2
InChIKeyHDPTVQQWXXCBQK-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.59
Rot. Bonds

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

3,5,8,8a-tetrahydro-1H-indolizin-2-one (PubChem CID 58724371) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,5,8,8a-tetrahydro-1H-indolizin-2-one.

Molecular Properties

Compound Name3,5,8,8a-tetrahydro-1H-indolizin-2-one
PubChem CID58724371
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,5,8,8a-tetrahydro-1H-indolizin-2-one
SMILESO=C1CC2CC=CCN2C1
InChIInChI=1S/C8H11NO/c10-8-5-7-3-1-2-4-9(7)6-8/h1-2,7H,3-6H2
InChIKeyHDPTVQQWXXCBQK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The IUPAC name of 3,5,8,8a-tetrahydro-1H-indolizin-2-one (CID 58724371) is 3,5,8,8a-tetrahydro-1H-indolizin-2-one.
What is the SMILES notation for 3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The canonical SMILES for 3,5,8,8a-tetrahydro-1H-indolizin-2-one is O=C1CC2CC=CCN2C1.
What is the InChIKey of 3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The InChIKey is HDPTVQQWXXCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-5-7-3-1-2-4-9(7)6-8/h1-2,7H,3-6H2.
What are the key properties of 3,5,8,8a-tetrahydro-1H-indolizin-2-one?
3,5,8,8a-tetrahydro-1H-indolizin-2-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 3,5,8,8a-tetrahydro-1H-indolizin-2-one is sourced from PubChem (CID 58724371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).