1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone

C10H15NO — CID 45086351

IUPAC1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone
SMILESCC(=O)C1=C2CCCCN2CC1
InChIInChI=1S/C10H15NO/c1-8(12)9-5-7-11-6-3-2-4-10(9)11/h2-7H2,1H3
InChIKeyYZIOUMRDZRQIPT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds1

About 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone

1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone (PubChem CID 45086351) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone
PubChem CID45086351
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone
SMILESCC(=O)C1=C2CCCCN2CC1
InChIInChI=1S/C10H15NO/c1-8(12)9-5-7-11-6-3-2-4-10(9)11/h2-7H2,1H3
InChIKeyYZIOUMRDZRQIPT-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 ≤ 102

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Related Compounds

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CID 788502
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2-Methyl-3-(pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 13119714
4,4,5,5-Tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one
CID 13196958
2-Cyclopenten-1-one, 3-(dimethylamino)-2-methyl-
CID 580167
1-Methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one
CID 10607132
3-(Dimethylamino)-2-ethylcyclopent-2-en-1-one
CID 15105492
2-Ethyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 15105494
3-Methyl-2-piperidin-1-ylcyclopent-2-en-1-one
CID 18185994
1-Propan-2-yl-2-propan-2-ylidenepiperidin-3-one
CID 59305263
3-(4-Tert-butylpiperazin-1-yl)-2-methylcyclopent-2-en-1-one
CID 89949595
2-Methyl-3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 89952748

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone (CID 45086351) is 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone is CC(=O)C1=C2CCCCN2CC1.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone?
The InChIKey is YZIOUMRDZRQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(12)9-5-7-11-6-3-2-4-10(9)11/h2-7H2,1H3.
What are the key properties of 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone?
1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydroindolizin-1-yl)ethanone is sourced from PubChem (CID 45086351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).