1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone

C11H15NO — CID 91664957

IUPAC1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCC2C=C1
InChIInChI=1S/C11H15NO/c1-8-11(9(2)13)6-5-10-4-3-7-12(8)10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyPWBKVDDFQJKFCO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds1

About 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone

1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone (PubChem CID 91664957) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone
PubChem CID91664957
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCC2C=C1
InChIInChI=1S/C11H15NO/c1-8-11(9(2)13)6-5-10-4-3-7-12(8)10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyPWBKVDDFQJKFCO-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1-methyl-1H-indole-5,6-dione
CID 12309613
1-fluoro-2-methyl-3,5-dihydro-2H-indol-6-one
CID 161999147
2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 72810081
1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
CID 134950025
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134960196
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960516
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134969292
(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
CID 5324935
3-methyl-2,3,5,6-tetrahydro-7(1H)-indolizinone
CID 11073597
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561
1,2,4-trimethyl-2-tritio-6H-indol-6-id-3-one;yttrium
CID 59708924

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone (CID 91664957) is 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone is CC(=O)C1=C(C)N2CCCC2C=C1.
What is the InChIKey of 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone?
The InChIKey is PWBKVDDFQJKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-11(9(2)13)6-5-10-4-3-7-12(8)10/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone?
1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone is sourced from PubChem (CID 91664957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).