6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one

C10H15NO — CID 45088850

IUPAC6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one
SMILESCC1(C)CC=C2CCCN2C1=O
InChIInChI=1S/C10H15NO/c1-10(2)6-5-8-4-3-7-11(8)9(10)12/h5H,3-4,6-7H2,1-2H3
InChIKeyLAOUBTGJQBNDSG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds

About 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one

6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one (PubChem CID 45088850) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one.

Molecular Properties

Compound Name6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one
PubChem CID45088850
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one
SMILESCC1(C)CC=C2CCCN2C1=O
InChIInChI=1S/C10H15NO/c1-10(2)6-5-8-4-3-7-11(8)9(10)12/h5H,3-4,6-7H2,1-2H3
InChIKeyLAOUBTGJQBNDSG-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one?
The IUPAC name of 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one (CID 45088850) is 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one.
What is the SMILES notation for 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one?
The canonical SMILES for 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one is CC1(C)CC=C2CCCN2C1=O.
What is the InChIKey of 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one?
The InChIKey is LAOUBTGJQBNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)6-5-8-4-3-7-11(8)9(10)12/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one?
6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one has a molecular weight of 165.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,2,3,7-tetrahydroindolizin-5-one is sourced from PubChem (CID 45088850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).