(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one

C13H15NO2 — CID 10330960

IUPAC(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOc1ccc(C2NC(=O)C=C[C@H]2C)cc1
InChIInChI=1S/C13H15NO2/c1-9-3-8-12(15)14-13(9)10-4-6-11(16-2)7-5-10/h3-9,13H,1-2H3,(H,14,15)/t9-,13?/m1/s1
InChIKeyHMBKNAOPQUXCEK-CGCSKFHYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds2

About (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one

(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 10330960) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID10330960
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCOc1ccc(C2NC(=O)C=C[C@H]2C)cc1
InChIInChI=1S/C13H15NO2/c1-9-3-8-12(15)14-13(9)10-4-6-11(16-2)7-5-10/h3-9,13H,1-2H3,(H,14,15)/t9-,13?/m1/s1
InChIKeyHMBKNAOPQUXCEK-CGCSKFHYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
CID 177442101
[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 154983238
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
CID 134964565
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
ethyl (4R,5S)-4-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 11230866

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one (CID 10330960) is (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one is COc1ccc(C2NC(=O)C=C[C@H]2C)cc1.
What is the InChIKey of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is HMBKNAOPQUXCEK-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-3-8-12(15)14-13(9)10-4-6-11(16-2)7-5-10/h3-9,13H,1-2H3,(H,14,15)/t9-,13?/m1/s1.
What are the key properties of (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one?
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 10330960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).