(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C20H19NO2 — CID 70691960

IUPAC(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C20H19NO2/c22-17-11-16-12-18(14-7-3-1-4-8-14)19(20(23)21(16)13-17)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2/t16-,17+/m0/s1
InChIKeyGACPXUJNNKGFAD-DLBZAZTESA-N
MW305.38 g/mol
LogP2.96
Rot. Bonds2

About (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 70691960) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID70691960
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C20H19NO2/c22-17-11-16-12-18(14-7-3-1-4-8-14)19(20(23)21(16)13-17)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2/t16-,17+/m0/s1
InChIKeyGACPXUJNNKGFAD-DLBZAZTESA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Asimadoline
CID 179340
1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-phenyl-1H-pyridin-2-one
CID 44269872
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397794
2-(1-Benzyl-2-hydroxyethyl)-1-isoindolinone
CID 3749329
Preussin E
CID 145975830
Preussin F
CID 145976597
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397916
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-propyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397917
2-[(2R,4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-phenylphenyl)ethanone
CID 66561478
2-[(2S,4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-phenylphenyl)ethanone
CID 66561479
(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 66561480
(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 66561554

Frequently Asked Questions

What is the IUPAC name of (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 70691960) is (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C(c2ccccc2)=C(c2ccccc2)C[C@@H]2C[C@@H](O)CN12.
What is the InChIKey of (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is GACPXUJNNKGFAD-DLBZAZTESA-N. The full InChI is InChI=1S/C20H19NO2/c22-17-11-16-12-18(14-7-3-1-4-8-14)19(20(23)21(16)13-17)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2/t16-,17+/m0/s1.
What are the key properties of (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 305.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 70691960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).