2,3,6,8a-tetrahydro-1H-indolizin-5-one

C8H11NO — CID 85294881

IUPAC2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1CC=CC2CCCN12
InChIInChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,3,7H,2,4-6H2
InChIKeyNNWVEQDIVHXNQK-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About 2,3,6,8a-tetrahydro-1H-indolizin-5-one

2,3,6,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 85294881) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,3,6,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name2,3,6,8a-tetrahydro-1H-indolizin-5-one
PubChem CID85294881
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1CC=CC2CCCN12
InChIInChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,3,7H,2,4-6H2
InChIKeyNNWVEQDIVHXNQK-UHFFFAOYSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Succinimidylcyclohexene
CID 13386938
1-[(2S)-2-[(Z)-1-fluorobut-1-enyl]pyrrolidin-1-yl]ethanone
CID 101516486
1-Cyclohex-2-en-1-ylpyrrolidin-2-one
CID 14074666
1,5,6,8a-tetrahydro-3(2H)-indolizinone
CID 10887976
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395
(9aS)-1,2,3,6,7,9a-hexahydropyrrolo[1,2-a]azepin-5-one
CID 10953700
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
CID 14942504
5,7A-dihydro-1H-pyrrolizin-3(2H)-one
CID 14942505
(1E)-1-(trimethylsilylmethylidene)-2,3,6,8a-tetrahydroindolizin-5-one
CID 15933773

Frequently Asked Questions

What is the IUPAC name of 2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of 2,3,6,8a-tetrahydro-1H-indolizin-5-one (CID 85294881) is 2,3,6,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for 2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for 2,3,6,8a-tetrahydro-1H-indolizin-5-one is O=C1CC=CC2CCCN12.
What is the InChIKey of 2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is NNWVEQDIVHXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-5-1-3-7-4-2-6-9(7)8/h1,3,7H,2,4-6H2.
What are the key properties of 2,3,6,8a-tetrahydro-1H-indolizin-5-one?
2,3,6,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 137.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 85294881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).