(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

C11H19NO2 — CID 121456245

IUPAC(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](CO)CN2C1=O
InChIInChI=1S/C11H19NO2/c1-11(2)5-9-4-3-8(7-13)6-12(9)10(11)14/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFFBHJIOVZDKEES-BDAKNGLRSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds1

About (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 121456245) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID121456245
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](CO)CN2C1=O
InChIInChI=1S/C11H19NO2/c1-11(2)5-9-4-3-8(7-13)6-12(9)10(11)14/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFFBHJIOVZDKEES-BDAKNGLRSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (CID 121456245) is (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is CC1(C)C[C@@H]2CC[C@@H](CO)CN2C1=O.
What is the InChIKey of (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is FFBHJIOVZDKEES-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-9-4-3-8(7-13)6-12(9)10(11)14/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 121456245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).