2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one

C15H17NO2 — CID 15414722

IUPAC2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one
SMILESCCC1CC(=O)C=CN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2/c1-3-13-10-14(17)8-9-16(13)15(18)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3
InChIKeySCPCHOJBHMKVIU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds2

About 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one

2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one (PubChem CID 15414722) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one
PubChem CID15414722
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one
SMILESCCC1CC(=O)C=CN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2/c1-3-13-10-14(17)8-9-16(13)15(18)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3
InChIKeySCPCHOJBHMKVIU-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one (CID 15414722) is 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one is CCC1CC(=O)C=CN1C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one?
The InChIKey is SCPCHOJBHMKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-13-10-14(17)8-9-16(13)15(18)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one?
2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylbenzoyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 15414722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).