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

C11H19NO2 — CID 59739744

IUPAC7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1C(=O)N2C(C)CCC2CC1CO
InChIInChI=1S/C11H19NO2/c1-7-3-4-10-5-9(6-13)8(2)11(14)12(7)10/h7-10,13H,3-6H2,1-2H3
InChIKeyQJRSEIIJQMOQNG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.01
Rot. Bonds1

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

7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 59739744) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID59739744
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1C(=O)N2C(C)CCC2CC1CO
InChIInChI=1S/C11H19NO2/c1-7-3-4-10-5-9(6-13)8(2)11(14)12(7)10/h7-10,13H,3-6H2,1-2H3
InChIKeyQJRSEIIJQMOQNG-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 59739744) is 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC1C(=O)N2C(C)CCC2CC1CO.
What is the InChIKey of 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is QJRSEIIJQMOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-3-4-10-5-9(6-13)8(2)11(14)12(7)10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 59739744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).