(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C26H23NO2 — CID 66561480

IUPAC(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23+/m0/s1
InChIKeySHURKGBPFAZXIA-XZOQPEGZSA-N
MW381.48 g/mol
LogP4.63
Rot. Bonds3

About (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 66561480) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID66561480
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@@H]2C[C@@H](O)CN12
InChIInChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23+/m0/s1
InChIKeySHURKGBPFAZXIA-XZOQPEGZSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.63
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
Asimadoline hydrochloride
CID 9846614
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,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 66561554
(2R,8aR)-7-(4-bromophenyl)-2-hydroxy-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70683522
(2R,8aR)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70691960
(2R,8aS)-2-hydroxy-6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70694008
(2R,8aS)-7-(4-bromophenyl)-2-hydroxy-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70696132
(2R,8aR)-2-hydroxy-7-naphthalen-2-yl-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 72206211
(2R,8aS)-2-hydroxy-7-naphthalen-2-yl-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 72206214
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-bis(4-methylphenyl)acetamide;hydrochloride
CID 45262691

Frequently Asked Questions

What is the IUPAC name of (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 66561480) is (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@@H]2C[C@@H](O)CN12.
What is the InChIKey of (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is SHURKGBPFAZXIA-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23+/m0/s1.
What are the key properties of (2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(2R,8aR)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 381.48 g/mol, XLogP of 4.63, 3 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-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 66561480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).