(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C14H17NO2 — CID 5323922

IUPAC(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](O)C[C@H]2CCCN12
InChIInChI=1S/C14H17NO2/c16-12-9-11-7-4-8-15(11)14(17)13(12)10-5-2-1-3-6-10/h1-3,5-6,11-13,16H,4,7-9H2/t11-,12+,13-/m1/s1
InChIKeyIOKGYPURHIVEOD-FRRDWIJNSA-N
MW231.29 g/mol
LogP1.53
Rot. Bonds1

About (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 5323922) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID5323922
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](O)C[C@H]2CCCN12
InChIInChI=1S/C14H17NO2/c16-12-9-11-7-4-8-15(11)14(17)13(12)10-5-2-1-3-6-10/h1-3,5-6,11-13,16H,4,7-9H2/t11-,12+,13-/m1/s1
InChIKeyIOKGYPURHIVEOD-FRRDWIJNSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Related Compounds

3,8-Diazabicyclo(3.2.1)octane, 3-((2'-hydroxymethyl-2'-phenyl)propionyl)-8-methyl-, (+,-)-
CID 115607
3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(1-methyltropoyl)-, hydrochloride
CID 3056680
1-[(7S,8R,8aS)-7-(hydroxymethyl)-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-cyclopentylethanone
CID 118738658
(7R,8R,8aS)-7-(hydroxymethyl)-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 15870485
[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 87891506
5-(4-Fluorophenyl)-7-hydroxyhexahydroindolizin-3-one
CID 67461439
[3,5-bis(trifluoromethyl)phenyl]methanol;1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 143583407
N-Acetyl noratropine
CID 91704603
(7R,8S,8aS)-8-Hydroxy-7-phenylperhydroindolizin-3-one
CID 101464498
(7R,8R,8aS)-8-hydroxy-7-phenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101464501
(3S)-7-benzyl-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134980565
2-(2-Fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 55236041

Frequently Asked Questions

What is the IUPAC name of (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 5323922) is (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1[C@H](c2ccccc2)[C@@H](O)C[C@H]2CCCN12.
What is the InChIKey of (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is IOKGYPURHIVEOD-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-9-11-7-4-8-15(11)14(17)13(12)10-5-2-1-3-6-10/h1-3,5-6,11-13,16H,4,7-9H2/t11-,12+,13-/m1/s1.
What are the key properties of (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 231.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8aR)-7-hydroxy-6-phenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 5323922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).