1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone

C11H15NO — CID 161214249

IUPAC1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone
SMILESCC(=O)c1cc2n(c1)CCC(C)C2
InChIInChI=1S/C11H15NO/c1-8-3-4-12-7-10(9(2)13)6-11(12)5-8/h6-8H,3-5H2,1-2H3
InChIKeyWOKPOMQXOWWMMH-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.27
Rot. Bonds1

About 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone

1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone (PubChem CID 161214249) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone
PubChem CID161214249
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone
SMILESCC(=O)c1cc2n(c1)CCC(C)C2
InChIInChI=1S/C11H15NO/c1-8-3-4-12-7-10(9(2)13)6-11(12)5-8/h6-8H,3-5H2,1-2H3
InChIKeyWOKPOMQXOWWMMH-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-5,6,7,8-tetrahydroindolizine-2-carboxylic acid
CID 131619921
4-acetyl-1-[(4-methylcyclohexyl)methyl]pyrrole-2-carboxylic acid
CID 114605343
2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 82654270
4-acetyl-2-(4-methylazepan-1-yl)benzonitrile
CID 133442969
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
4-acetyl-1-(1,3-dimethylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 114606961
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
CID 168514235
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
4-acetyl-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 133442496
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 615177

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone?
The IUPAC name of 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone (CID 161214249) is 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone?
The canonical SMILES for 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone is CC(=O)c1cc2n(c1)CCC(C)C2.
What is the InChIKey of 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone?
The InChIKey is WOKPOMQXOWWMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-4-12-7-10(9(2)13)6-11(12)5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone?
1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5,6,7,8-tetrahydroindolizin-2-yl)ethanone is sourced from PubChem (CID 161214249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).