7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one

C10H15NO — CID 132539025

IUPAC7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one
SMILESCC1(C)CC(=O)N2CCC=C2C1
InChIInChI=1S/C10H15NO/c1-10(2)6-8-4-3-5-11(8)9(12)7-10/h4H,3,5-7H2,1-2H3
InChIKeyZBVXKHAVGXWIKF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds

About 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one

7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one (PubChem CID 132539025) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one
PubChem CID132539025
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one
SMILESCC1(C)CC(=O)N2CCC=C2C1
InChIInChI=1S/C10H15NO/c1-10(2)6-8-4-3-5-11(8)9(12)7-10/h4H,3,5-7H2,1-2H3
InChIKeyZBVXKHAVGXWIKF-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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Related Compounds

2,6,7,8-Tetrahydroindolizin-5(3H)-one
CID 12475898
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-5-one
CID 45088850
7-Methyl-7-azaspiro[4.5]dec-2-en-6-one
CID 129915625
2,2-dimethyl-3,6,7,8-tetrahydro-1H-quinolizin-4-one
CID 132539023
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-2-ylium-5-one
CID 135043684
6-methyl-3,8-dihydro-2H-indolizine-5,7-dione
CID 56985632
1,4,4-Trimethyl-6-methylidenepiperidin-2-one
CID 89461228
5,5-Dimethyl-1-(2-methylbut-2-enyl)-6-methylidenepiperidin-2-one
CID 123658049
(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
CID 142829757
(6E)-6-ethylidene-1-propan-2-ylpiperidin-2-one
CID 155014496
4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one
CID 155373964
1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
CID 10081317

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one?
The IUPAC name of 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one (CID 132539025) is 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one.
What is the SMILES notation for 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one?
The canonical SMILES for 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one is CC1(C)CC(=O)N2CCC=C2C1.
What is the InChIKey of 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one?
The InChIKey is ZBVXKHAVGXWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)6-8-4-3-5-11(8)9(12)7-10/h4H,3,5-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one?
7,7-dimethyl-2,3,6,8-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 7,7-dimethyl-2,3,6,8-tetrahydroindolizin-5-one is sourced from PubChem (CID 132539025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).