2-methyl-6,7-dihydro-5H-indolizin-3-one

C9H11NO — CID 122397881

IUPAC2-methyl-6,7-dihydro-5H-indolizin-3-one
SMILESCC1=CC2=CCCCN2C1=O
InChIInChI=1S/C9H11NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h4,6H,2-3,5H2,1H3
InChIKeyWURKYBOEJYLVIY-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-indolizin-3-one

2-methyl-6,7-dihydro-5H-indolizin-3-one (PubChem CID 122397881) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-indolizin-3-one.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-indolizin-3-one
PubChem CID122397881
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-6,7-dihydro-5H-indolizin-3-one
SMILESCC1=CC2=CCCCN2C1=O
InChIInChI=1S/C9H11NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h4,6H,2-3,5H2,1H3
InChIKeyWURKYBOEJYLVIY-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-indolizin-3-one?
The IUPAC name of 2-methyl-6,7-dihydro-5H-indolizin-3-one (CID 122397881) is 2-methyl-6,7-dihydro-5H-indolizin-3-one.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-indolizin-3-one?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-indolizin-3-one is CC1=CC2=CCCCN2C1=O.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-indolizin-3-one?
The InChIKey is WURKYBOEJYLVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-indolizin-3-one?
2-methyl-6,7-dihydro-5H-indolizin-3-one has a molecular weight of 149.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-indolizin-3-one is sourced from PubChem (CID 122397881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).