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

C10H15NO2 — CID 171531843

IUPAC2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(C)N(C)C)o1
InChIInChI=1S/C10H15NO2/c1-7-5-9(12)6-10(13-7)8(2)11(3)4/h5-6,8H,1-4H3
InChIKeyDOLQTHSTSOALIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.57
Rot. Bonds2

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

2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one (PubChem CID 171531843) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one
PubChem CID171531843
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(C)N(C)C)o1
InChIInChI=1S/C10H15NO2/c1-7-5-9(12)6-10(13-7)8(2)11(3)4/h5-6,8H,1-4H3
InChIKeyDOLQTHSTSOALIR-UHFFFAOYSA-N
XLogP1.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.57
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?
The IUPAC name of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one (CID 171531843) is 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(C)N(C)C)o1.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one?
The InChIKey is DOLQTHSTSOALIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-9(12)6-10(13-7)8(2)11(3)4/h5-6,8H,1-4H3.
What are the key properties of 2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one?
2-[1-(dimethylamino)ethyl]-6-methylpyran-4-one has a molecular weight of 181.24 g/mol, XLogP of 1.57, 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 is sourced from PubChem (CID 171531843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).