2-iodo-8a-methylindolizin-1-one

C9H8INO — CID 24950344

IUPAC2-iodo-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C=C(I)C2=O
InChIInChI=1S/C9H8INO/c1-9-4-2-3-5-11(9)6-7(10)8(9)12/h2-6H,1H3
InChIKeyZSTLXOPOROJPGG-UHFFFAOYSA-N
MW273.07 g/mol
LogP1.99
Rot. Bonds

About 2-iodo-8a-methylindolizin-1-one

2-iodo-8a-methylindolizin-1-one (PubChem CID 24950344) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is 2-iodo-8a-methylindolizin-1-one.

Molecular Properties

Compound Name2-iodo-8a-methylindolizin-1-one
PubChem CID24950344
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC Name2-iodo-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C=C(I)C2=O
InChIInChI=1S/C9H8INO/c1-9-4-2-3-5-11(9)6-7(10)8(9)12/h2-6H,1H3
InChIKeyZSTLXOPOROJPGG-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-8a-methylindolizin-1-one?
The IUPAC name of 2-iodo-8a-methylindolizin-1-one (CID 24950344) is 2-iodo-8a-methylindolizin-1-one.
What is the SMILES notation for 2-iodo-8a-methylindolizin-1-one?
The canonical SMILES for 2-iodo-8a-methylindolizin-1-one is CC12C=CC=CN1C=C(I)C2=O.
What is the InChIKey of 2-iodo-8a-methylindolizin-1-one?
The InChIKey is ZSTLXOPOROJPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO/c1-9-4-2-3-5-11(9)6-7(10)8(9)12/h2-6H,1H3.
What are the key properties of 2-iodo-8a-methylindolizin-1-one?
2-iodo-8a-methylindolizin-1-one has a molecular weight of 273.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-8a-methylindolizin-1-one is sourced from PubChem (CID 24950344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).