5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one

C15H17NO2 — CID 141240576

IUPAC5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one
SMILES[2H]C(C)c1ccc(=O)n(-c2cccc(OCC)c2)c1
InChIInChI=1S/C15H17NO2/c1-3-12-8-9-15(17)16(11-12)13-6-5-7-14(10-13)18-4-2/h5-11H,3-4H2,1-2H3/i3D
InChIKeyGBBMJOWKQNJTJS-WFVSFCRTSA-N
MW244.31 g/mol
LogP2.80
Rot. Bonds4

About 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one

5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one (PubChem CID 141240576) has the molecular formula C15H17NO2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one
PubChem CID141240576
Molecular FormulaC15H17NO2
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one
SMILES[2H]C(C)c1ccc(=O)n(-c2cccc(OCC)c2)c1
InChIInChI=1S/C15H17NO2/c1-3-12-8-9-15(17)16(11-12)13-6-5-7-14(10-13)18-4-2/h5-11H,3-4H2,1-2H3/i3D
InChIKeyGBBMJOWKQNJTJS-WFVSFCRTSA-N
XLogP2.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 3253093
4-bromo-1-(3-ethoxyphenyl)pyrrole-2-carboxylic acid
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1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63464979
(3-ethoxyphenyl)methanethiol
CID 79885244
5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866082
1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
CID 106566744
5-(1,1-dideuterioethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
CID 122692634
1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one
CID 56848016
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
5-benzyl-1-phenylpyridin-2-one;ethane
CID 90848479
1-(4-ethoxyphenyl)-5-(2-fluorophenyl)pyridin-2-one
CID 58426176
3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399

Frequently Asked Questions

What is the IUPAC name of 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one?
The IUPAC name of 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one (CID 141240576) is 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one?
The canonical SMILES for 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one is [2H]C(C)c1ccc(=O)n(-c2cccc(OCC)c2)c1.
What is the InChIKey of 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one?
The InChIKey is GBBMJOWKQNJTJS-WFVSFCRTSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-12-8-9-15(17)16(11-12)13-6-5-7-14(10-13)18-4-2/h5-11H,3-4H2,1-2H3/i3D.
What are the key properties of 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one?
5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one has a molecular weight of 244.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-deuterioethyl)-1-(3-ethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 141240576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).