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

C14H17NO2 — CID 125489087

IUPAC(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@@H]2CCCCN12
InChIInChI=1S/C14H17NO2/c16-13-10-14(17,11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,17H,4-5,8-10H2/t12-,14+/m0/s1
InChIKeyFUMDKCRJZJTNIW-GXTWGEPZSA-N
MW231.30 g/mol
LogP1.66
Rot. Bonds1

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

(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 125489087) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID125489087
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@@H]2CCCCN12
InChIInChI=1S/C14H17NO2/c16-13-10-14(17,11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,17H,4-5,8-10H2/t12-,14+/m0/s1
InChIKeyFUMDKCRJZJTNIW-GXTWGEPZSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
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1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
CID 576510
(1R,7aR)-2-acetyl-1-hydroxy-1-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 177464405
(4S,4aS,8aR)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 6543208
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
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(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol
CID 171767911
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CID 54586108
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol
CID 11771239
1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one
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Frequently Asked Questions

What is the IUPAC name of (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one (CID 125489087) is (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one is O=C1C[C@@](O)(c2ccccc2)[C@@H]2CCCCN12.
What is the InChIKey of (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is FUMDKCRJZJTNIW-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-10-14(17,11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,17H,4-5,8-10H2/t12-,14+/m0/s1.
What are the key properties of (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one?
(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 125489087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).