(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one

C14H25NO2 — CID 177058014

IUPAC(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one
SMILESCC(C)C1CCCC(O)C[C@H]2CCC(=O)N1C2
InChIInChI=1S/C14H25NO2/c1-10(2)13-5-3-4-12(16)8-11-6-7-14(17)15(13)9-11/h10-13,16H,3-9H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyJHMCONJSYZHFIH-PNESKVBLSA-N
MW239.36 g/mol
LogP2.18
Rot. Bonds1

About (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one

(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one (PubChem CID 177058014) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one.

Molecular Properties

Compound Name(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one
PubChem CID177058014
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one
SMILESCC(C)C1CCCC(O)C[C@H]2CCC(=O)N1C2
InChIInChI=1S/C14H25NO2/c1-10(2)13-5-3-4-12(16)8-11-6-7-14(17)15(13)9-11/h10-13,16H,3-9H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyJHMCONJSYZHFIH-PNESKVBLSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,8S,8aS)-8-hydroxy-3-(hydroxymethyl)-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11008929
7-(hydroxymethyl)-3,6-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59739744
(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59961744
(1R,2S)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 59961753
(3S,6S,8aS)-6-hydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 89050126
(6R,8aS)-6-(hydroxymethyl)-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 121456245
(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one
CID 143234962
(3S)-3-(hydroxymethyl)-N,N-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxamide
CID 170357050
8-Hydroxy-3-(hydroxymethyl)-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 5257455
(3S)-3-(hydroxymethyl)-7-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10560449
(3S)-7-ethyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10774306
5-Hexyl-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10989312

Frequently Asked Questions

What is the IUPAC name of (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one?
The IUPAC name of (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one (CID 177058014) is (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one.
What is the SMILES notation for (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one?
The canonical SMILES for (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one is CC(C)C1CCCC(O)C[C@H]2CCC(=O)N1C2.
What is the InChIKey of (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one?
The InChIKey is JHMCONJSYZHFIH-PNESKVBLSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)13-5-3-4-12(16)8-11-6-7-14(17)15(13)9-11/h10-13,16H,3-9H2,1-2H3/t11-,12?,13?/m1/s1.
What are the key properties of (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one?
(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one has a molecular weight of 239.36 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one is sourced from PubChem (CID 177058014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).