3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one

C10H15NO3 — CID 82064664

IUPAC3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN(C)C
InChIInChI=1S/C10H15NO3/c1-8-10(9(12)4-6-13-8)14-7-5-11(2)3/h4,6H,5,7H2,1-3H3
InChIKeyDUNRYYRWNOFGFB-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds4

About 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one

3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one (PubChem CID 82064664) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one
PubChem CID82064664
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN(C)C
InChIInChI=1S/C10H15NO3/c1-8-10(9(12)4-6-13-8)14-7-5-11(2)3/h4,6H,5,7H2,1-3H3
InChIKeyDUNRYYRWNOFGFB-UHFFFAOYSA-N
XLogP0.89
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one (CID 82064664) is 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one is Cc1occc(=O)c1OCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one?
The InChIKey is DUNRYYRWNOFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-10(9(12)4-6-13-8)14-7-5-11(2)3/h4,6H,5,7H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one?
3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-2-methylpyran-4-one is sourced from PubChem (CID 82064664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).