1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane

C10H17NO2 — CID 90857389

IUPAC1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane
SMILESCC.CC(=O)N1C=CC(=O)CC1C
InChIInChI=1S/C8H11NO2.C2H6/c1-6-5-8(11)3-4-9(6)7(2)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyAJTYRWURRROIGU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.74
Rot. Bonds

About 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane

1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane (PubChem CID 90857389) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane.

Molecular Properties

Compound Name1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane
PubChem CID90857389
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane
SMILESCC.CC(=O)N1C=CC(=O)CC1C
InChIInChI=1S/C8H11NO2.C2H6/c1-6-5-8(11)3-4-9(6)7(2)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyAJTYRWURRROIGU-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane?
The IUPAC name of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane (CID 90857389) is 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane.
What is the SMILES notation for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane?
The canonical SMILES for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane is CC.CC(=O)N1C=CC(=O)CC1C.
What is the InChIKey of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane?
The InChIKey is AJTYRWURRROIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-6-5-8(11)3-4-9(6)7(2)10;1-2/h3-4,6H,5H2,1-2H3;1-2H3.
What are the key properties of 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane?
1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane has a molecular weight of 183.25 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane is sourced from PubChem (CID 90857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).