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

C11H19NO2 — CID 130963611

IUPAC(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)CCN2C(=O)CC[C@H]2[C@@H]1CO
InChIInChI=1S/C11H19NO2/c1-11(2)5-6-12-9(8(11)7-13)3-4-10(12)14/h8-9,13H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQSCQHZTZZLOQPG-IUCAKERBSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds1

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

(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one (PubChem CID 130963611) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
PubChem CID130963611
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)CCN2C(=O)CC[C@H]2[C@@H]1CO
InChIInChI=1S/C11H19NO2/c1-11(2)5-6-12-9(8(11)7-13)3-4-10(12)14/h8-9,13H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQSCQHZTZZLOQPG-IUCAKERBSA-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

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

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Related Compounds

1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 85303594
(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10726184
(8S,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10749651
(8R,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10773453
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209
7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59739744
1,1-Dimethyl-3-oxooctahydroindolizine-6-carboxylic acid
CID 86727867
(6R,8aS)-6-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 121456244
(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 121456245
(6R,8aR)-1,1-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
CID 121456269
(3S)-3-(hydroxymethyl)-N,N-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxamide
CID 170357050

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one (CID 130963611) is (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one is CC1(C)CCN2C(=O)CC[C@H]2[C@@H]1CO.
What is the InChIKey of (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one?
The InChIKey is QSCQHZTZZLOQPG-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-6-12-9(8(11)7-13)3-4-10(12)14/h8-9,13H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one?
(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-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 (8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 130963611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).