8a-methyl-3-propan-2-ylindolizin-1-one

C12H15NO — CID 135013122

IUPAC8a-methyl-3-propan-2-ylindolizin-1-one
SMILESCC(C)C1=CC(=O)C2(C)C=CC=CN12
InChIInChI=1S/C12H15NO/c1-9(2)10-8-11(14)12(3)6-4-5-7-13(10)12/h4-9H,1-3H3
InChIKeyCUNLKASJLMEJBY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.25
Rot. Bonds1

About 8a-methyl-3-propan-2-ylindolizin-1-one

8a-methyl-3-propan-2-ylindolizin-1-one (PubChem CID 135013122) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 8a-methyl-3-propan-2-ylindolizin-1-one.

Molecular Properties

Compound Name8a-methyl-3-propan-2-ylindolizin-1-one
PubChem CID135013122
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name8a-methyl-3-propan-2-ylindolizin-1-one
SMILESCC(C)C1=CC(=O)C2(C)C=CC=CN12
InChIInChI=1S/C12H15NO/c1-9(2)10-8-11(14)12(3)6-4-5-7-13(10)12/h4-9H,1-3H3
InChIKeyCUNLKASJLMEJBY-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-3-propan-2-ylindolizin-1-one?
The IUPAC name of 8a-methyl-3-propan-2-ylindolizin-1-one (CID 135013122) is 8a-methyl-3-propan-2-ylindolizin-1-one.
What is the SMILES notation for 8a-methyl-3-propan-2-ylindolizin-1-one?
The canonical SMILES for 8a-methyl-3-propan-2-ylindolizin-1-one is CC(C)C1=CC(=O)C2(C)C=CC=CN12.
What is the InChIKey of 8a-methyl-3-propan-2-ylindolizin-1-one?
The InChIKey is CUNLKASJLMEJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)10-8-11(14)12(3)6-4-5-7-13(10)12/h4-9H,1-3H3.
What are the key properties of 8a-methyl-3-propan-2-ylindolizin-1-one?
8a-methyl-3-propan-2-ylindolizin-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-3-propan-2-ylindolizin-1-one is sourced from PubChem (CID 135013122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).