1,4-diethylpyridin-2-one;ethane

C11H19NO — CID 164562060

IUPAC1,4-diethylpyridin-2-one;ethane
SMILESCC.CCc1ccn(CC)c(=O)c1
InChIInChI=1S/C9H13NO.C2H6/c1-3-8-5-6-10(4-2)9(11)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyDNBBHPKNZOHJIV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.46
Rot. Bonds2

About 1,4-diethylpyridin-2-one;ethane

1,4-diethylpyridin-2-one;ethane (PubChem CID 164562060) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,4-diethylpyridin-2-one;ethane.

Molecular Properties

Compound Name1,4-diethylpyridin-2-one;ethane
PubChem CID164562060
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,4-diethylpyridin-2-one;ethane
SMILESCC.CCc1ccn(CC)c(=O)c1
InChIInChI=1S/C9H13NO.C2H6/c1-3-8-5-6-10(4-2)9(11)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyDNBBHPKNZOHJIV-UHFFFAOYSA-N
XLogP2.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpyridin-2-one;ethane?
The IUPAC name of 1,4-diethylpyridin-2-one;ethane (CID 164562060) is 1,4-diethylpyridin-2-one;ethane.
What is the SMILES notation for 1,4-diethylpyridin-2-one;ethane?
The canonical SMILES for 1,4-diethylpyridin-2-one;ethane is CC.CCc1ccn(CC)c(=O)c1.
What is the InChIKey of 1,4-diethylpyridin-2-one;ethane?
The InChIKey is DNBBHPKNZOHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-8-5-6-10(4-2)9(11)7-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,4-diethylpyridin-2-one;ethane?
1,4-diethylpyridin-2-one;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpyridin-2-one;ethane is sourced from PubChem (CID 164562060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).