7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C11H19NO2 — CID 85263910

IUPAC7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCC1CC(=O)N2C(CO)CCC2C1
InChIInChI=1S/C11H19NO2/c1-2-8-5-9-3-4-10(7-13)12(9)11(14)6-8/h8-10,13H,2-7H2,1H3
InChIKeyJQSOMWGGKGJTPF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds2

About 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 85263910) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID85263910
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCC1CC(=O)N2C(CO)CCC2C1
InChIInChI=1S/C11H19NO2/c1-2-8-5-9-3-4-10(7-13)12(9)11(14)6-8/h8-10,13H,2-7H2,1H3
InChIKeyJQSOMWGGKGJTPF-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 85263910) is 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CCC1CC(=O)N2C(CO)CCC2C1.
What is the InChIKey of 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is JQSOMWGGKGJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-8-5-9-3-4-10(7-13)12(9)11(14)6-8/h8-10,13H,2-7H2,1H3.
What are the key properties of 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 85263910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).