8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one

C9H13NO — CID 24976920

IUPAC8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
SMILESCC1=C2CCC(=O)N2CCC1
InChIInChI=1S/C9H13NO/c1-7-3-2-6-10-8(7)4-5-9(10)11/h2-6H2,1H3
InChIKeyYLXYYXOMXGPBNG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.68
Rot. Bonds

About 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one

8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one (PubChem CID 24976920) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
PubChem CID24976920
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
SMILESCC1=C2CCC(=O)N2CCC1
InChIInChI=1S/C9H13NO/c1-7-3-2-6-10-8(7)4-5-9(10)11/h2-6H2,1H3
InChIKeyYLXYYXOMXGPBNG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(cyclopropen-1-yl)pyrrolidin-2-one
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1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 50742723
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(4,5-dimethyl-3-pyridinyl)pyrrolidin-2-one
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CID 151222079

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one?
The IUPAC name of 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one (CID 24976920) is 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one is CC1=C2CCC(=O)N2CCC1.
What is the InChIKey of 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one?
The InChIKey is YLXYYXOMXGPBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-2-6-10-8(7)4-5-9(10)11/h2-6H2,1H3.
What are the key properties of 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one?
8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 24976920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).