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

C10H15NO — CID 13331589

IUPAC2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC1=CC2CCCC(C)N2C1=O
InChIInChI=1S/C10H15NO/c1-7-6-9-5-3-4-8(2)11(9)10(7)12/h6,8-9H,3-5H2,1-2H3
InChIKeyVBKVQXNOHUAHDC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

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

2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 13331589) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID13331589
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESCC1=CC2CCCC(C)N2C1=O
InChIInChI=1S/C10H15NO/c1-7-6-9-5-3-4-8(2)11(9)10(7)12/h6,8-9H,3-5H2,1-2H3
InChIKeyVBKVQXNOHUAHDC-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 13331589) is 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one is CC1=CC2CCCC(C)N2C1=O.
What is the InChIKey of 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is VBKVQXNOHUAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-9-5-3-4-8(2)11(9)10(7)12/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 13331589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).