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

C17H23NO2 — CID 10880284

IUPAC(2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)[C@@H]1C[C@H]2[C@@H](O)CCC(=O)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-11(2)13-10-14-15(19)8-9-16(20)18(14)17(13)12-6-4-3-5-7-12/h3-7,11,13-15,17,19H,8-10H2,1-2H3/t13-,14-,15-,17-/m0/s1
InChIKeyNFJIZGNJDUBDBO-JKQORVJESA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds2

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

(2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 10880284) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID10880284
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)[C@@H]1C[C@H]2[C@@H](O)CCC(=O)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-11(2)13-10-14-15(19)8-9-16(20)18(14)17(13)12-6-4-3-5-7-12/h3-7,11,13-15,17,19H,8-10H2,1-2H3/t13-,14-,15-,17-/m0/s1
InChIKeyNFJIZGNJDUBDBO-JKQORVJESA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-5,5-dimethyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one
CID 589128
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
(5S,10bR)-5-(hydroxymethyl)-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15511540
(5S,10bR)-5-(hydroxymethyl)-10b-methyl-2,2-bis(prop-2-enyl)-5,6-dihydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 122177941
(5S,10bR)-5-(hydroxymethyl)-10b-methylspiro[5,6-dihydro-1H-pyrrolo[2,1-a]isoquinoline-2,4'-cyclopentene]-3-one
CID 122177943
(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 102254920
1-Benzyl-3-(1-hydroxyheptyl)piperidin-2-one
CID 76312467
5-(4-Fluorophenyl)-7-hydroxyhexahydroindolizin-3-one
CID 67461439
(3S)-7-[chloro(phenyl)methyl]-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11055483
(5S,10bS)-5-(hydroxymethyl)-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 11229998
(5S,6S)-5-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-6-prop-2-enylpiperidin-2-one
CID 50922838
(7R,8S,8aS)-8-Hydroxy-7-phenylperhydroindolizin-3-one
CID 101464498

Frequently Asked Questions

What is the IUPAC name of (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 10880284) is (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC(C)[C@@H]1C[C@H]2[C@@H](O)CCC(=O)N2[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is NFJIZGNJDUBDBO-JKQORVJESA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)13-10-14-15(19)8-9-16(20)18(14)17(13)12-6-4-3-5-7-12/h3-7,11,13-15,17,19H,8-10H2,1-2H3/t13-,14-,15-,17-/m0/s1.
What are the key properties of (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 273.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,8S,8aS)-8-hydroxy-3-phenyl-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 10880284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).