1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one

C21H19NO — CID 11055737

IUPAC1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)CCC=C1C#Cc1ccccc1
InChIInChI=1S/C21H19NO/c1-17(19-11-6-3-7-12-19)22-20(13-8-14-21(22)23)16-15-18-9-4-2-5-10-18/h2-7,9-13,17H,8,14H2,1H3/t17-/m1/s1
InChIKeyPAOCMQWAGDAHFU-QGZVFWFLSA-N
MW301.39 g/mol
LogP4.31
Rot. Bonds2

About 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one

1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one (PubChem CID 11055737) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one
PubChem CID11055737
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)CCC=C1C#Cc1ccccc1
InChIInChI=1S/C21H19NO/c1-17(19-11-6-3-7-12-19)22-20(13-8-14-21(22)23)16-15-18-9-4-2-5-10-18/h2-7,9-13,17H,8,14H2,1H3/t17-/m1/s1
InChIKeyPAOCMQWAGDAHFU-QGZVFWFLSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-hex-3-en-3-yl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
CID 11065955
6-[(Z)-hex-1-enyl]-1-[(1R)-1-phenylethyl]-3,4-dihydropyridin-2-one
CID 11076941
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 15373975
(1S,2R,6R,7R,8R,9R)-8,9-dibromo-4-[(1S)-1-phenylethyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 100807735
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 7026092
6-(1-phenylethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 2900583
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-[(1S)-1-phenylethyl]-7-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one;urea
CID 178034160

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one (CID 11055737) is 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one is C[C@H](c1ccccc1)N1C(=O)CCC=C1C#Cc1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one?
The InChIKey is PAOCMQWAGDAHFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19NO/c1-17(19-11-6-3-7-12-19)22-20(13-8-14-21(22)23)16-15-18-9-4-2-5-10-18/h2-7,9-13,17H,8,14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one?
1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-6-(2-phenylethynyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 11055737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).