(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one

C20H17NO3 — CID 72713947

IUPAC(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C20H17NO3/c22-17-13-14-21(18(23)12-11-15-7-3-1-4-8-15)19(20(17)24)16-9-5-2-6-10-16/h1-14,19-20,24H/b12-11+/t19-,20+/m1/s1
InChIKeyYQZDRXHWMSGIRN-UBGMWTFPSA-N
MW319.36 g/mol
LogP2.73
Rot. Bonds3

About (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one

(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one (PubChem CID 72713947) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one
PubChem CID72713947
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C20H17NO3/c22-17-13-14-21(18(23)12-11-15-7-3-1-4-8-15)19(20(17)24)16-9-5-2-6-10-16/h1-14,19-20,24H/b12-11+/t19-,20+/m1/s1
InChIKeyYQZDRXHWMSGIRN-UBGMWTFPSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one (CID 72713947) is (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one is O=C1C=CN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one?
The InChIKey is YQZDRXHWMSGIRN-UBGMWTFPSA-N. The full InChI is InChI=1S/C20H17NO3/c22-17-13-14-21(18(23)12-11-15-7-3-1-4-8-15)19(20(17)24)16-9-5-2-6-10-16/h1-14,19-20,24H/b12-11+/t19-,20+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one?
(2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one has a molecular weight of 319.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 72713947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).