2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one

C9H13NO — CID 13331588

IUPAC2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC1=CC2CCCCN2C1=O
InChIInChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h6,8H,2-5H2,1H3
InChIKeyGIUVEQUKXOAQAR-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one

2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 13331588) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID13331588
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC1=CC2CCCCN2C1=O
InChIInChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h6,8H,2-5H2,1H3
InChIKeyGIUVEQUKXOAQAR-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 13331588) is 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one is CC1=CC2CCCCN2C1=O.
What is the InChIKey of 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is GIUVEQUKXOAQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h6,8H,2-5H2,1H3.
What are the key properties of 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 13331588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).