2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane

C12H21NO2 — CID 176992571

IUPAC2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane
SMILESCC.Cc1cc(=O)cc(C(C)N(C)C)o1
InChIInChI=1S/C10H15NO2.C2H6/c1-7-5-9(12)6-10(13-7)8(2)11(3)4;1-2/h5-6,8H,1-4H3;1-2H3
InChIKeyIAILTXMPQADMPK-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.60
Rot. Bonds2

About 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane

2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane (PubChem CID 176992571) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane
PubChem CID176992571
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane
SMILESCC.Cc1cc(=O)cc(C(C)N(C)C)o1
InChIInChI=1S/C10H15NO2.C2H6/c1-7-5-9(12)6-10(13-7)8(2)11(3)4;1-2/h5-6,8H,1-4H3;1-2H3
InChIKeyIAILTXMPQADMPK-UHFFFAOYSA-N
XLogP2.60
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane?
The IUPAC name of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane (CID 176992571) is 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane is CC.Cc1cc(=O)cc(C(C)N(C)C)o1.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane?
The InChIKey is IAILTXMPQADMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-7-5-9(12)6-10(13-7)8(2)11(3)4;1-2/h5-6,8H,1-4H3;1-2H3.
What are the key properties of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane?
2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane has a molecular weight of 211.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one;ethane is sourced from PubChem (CID 176992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).