1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one

C12H19NO — CID 10932306

IUPAC1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one
SMILESCCCC(=O)C1=CCCN2CCCC12
InChIInChI=1S/C12H19NO/c1-2-5-12(14)10-6-3-8-13-9-4-7-11(10)13/h6,11H,2-5,7-9H2,1H3
InChIKeyPRGCCJPXJZTXMB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.15
Rot. Bonds3

About 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one

1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one (PubChem CID 10932306) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one.

Molecular Properties

Compound Name1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one
PubChem CID10932306
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one
SMILESCCCC(=O)C1=CCCN2CCCC12
InChIInChI=1S/C12H19NO/c1-2-5-12(14)10-6-3-8-13-9-4-7-11(10)13/h6,11H,2-5,7-9H2,1H3
InChIKeyPRGCCJPXJZTXMB-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one?
The IUPAC name of 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one (CID 10932306) is 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one.
What is the SMILES notation for 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one?
The canonical SMILES for 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one is CCCC(=O)C1=CCCN2CCCC12.
What is the InChIKey of 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one?
The InChIKey is PRGCCJPXJZTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-5-12(14)10-6-3-8-13-9-4-7-11(10)13/h6,11H,2-5,7-9H2,1H3.
What are the key properties of 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one?
1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)butan-1-one is sourced from PubChem (CID 10932306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).