1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one

C19H32N2O2 — CID 145026710

IUPAC1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
SMILESCC.CC.CCc1cccn(C)c1=O.Cc1cccn(C)c1=O
InChIInChI=1S/C8H11NO.C7H9NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-6-4-3-5-8(2)7(6)9;2*1-2/h4-6H,3H2,1-2H3;3-5H,1-2H3;2*1-2H3
InChIKeyMTPRFTAKWCDKBO-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.69
Rot. Bonds1

About 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one

1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one (PubChem CID 145026710) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
PubChem CID145026710
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
SMILESCC.CC.CCc1cccn(C)c1=O.Cc1cccn(C)c1=O
InChIInChI=1S/C8H11NO.C7H9NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-6-4-3-5-8(2)7(6)9;2*1-2/h4-6H,3H2,1-2H3;3-5H,1-2H3;2*1-2H3
InChIKeyMTPRFTAKWCDKBO-UHFFFAOYSA-N
XLogP3.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one?
The IUPAC name of 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one (CID 145026710) is 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one.
What is the SMILES notation for 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one?
The canonical SMILES for 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one is CC.CC.CCc1cccn(C)c1=O.Cc1cccn(C)c1=O.
What is the InChIKey of 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one?
The InChIKey is MTPRFTAKWCDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H9NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-6-4-3-5-8(2)7(6)9;2*1-2/h4-6H,3H2,1-2H3;3-5H,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one?
1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one has a molecular weight of 320.48 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one is sourced from PubChem (CID 145026710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).