3,8a-dimethylindolizin-1-one

C10H11NO — CID 130031771

IUPAC3,8a-dimethylindolizin-1-one
SMILESCC1=CC(=O)C2(C)C=CC=CN12
InChIInChI=1S/C10H11NO/c1-8-7-9(12)10(2)5-3-4-6-11(8)10/h3-7H,1-2H3
InChIKeyVUIHLXPSQIUDBR-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.62
Rot. Bonds

About 3,8a-dimethylindolizin-1-one

3,8a-dimethylindolizin-1-one (PubChem CID 130031771) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,8a-dimethylindolizin-1-one.

Molecular Properties

Compound Name3,8a-dimethylindolizin-1-one
PubChem CID130031771
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3,8a-dimethylindolizin-1-one
SMILESCC1=CC(=O)C2(C)C=CC=CN12
InChIInChI=1S/C10H11NO/c1-8-7-9(12)10(2)5-3-4-6-11(8)10/h3-7H,1-2H3
InChIKeyVUIHLXPSQIUDBR-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8a-dimethylindolizin-1-one?
The IUPAC name of 3,8a-dimethylindolizin-1-one (CID 130031771) is 3,8a-dimethylindolizin-1-one.
What is the SMILES notation for 3,8a-dimethylindolizin-1-one?
The canonical SMILES for 3,8a-dimethylindolizin-1-one is CC1=CC(=O)C2(C)C=CC=CN12.
What is the InChIKey of 3,8a-dimethylindolizin-1-one?
The InChIKey is VUIHLXPSQIUDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-7-9(12)10(2)5-3-4-6-11(8)10/h3-7H,1-2H3.
What are the key properties of 3,8a-dimethylindolizin-1-one?
3,8a-dimethylindolizin-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dimethylindolizin-1-one is sourced from PubChem (CID 130031771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).