2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one

C10H16N2O3 — CID 82064050

IUPAC2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one
SMILESCN(C)CCOc1coc(CN)cc1=O
InChIInChI=1S/C10H16N2O3/c1-12(2)3-4-14-10-7-15-8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHLUVRFVUMCNJEA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.04
Rot. Bonds5

About 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one

2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one (PubChem CID 82064050) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one
PubChem CID82064050
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one
SMILESCN(C)CCOc1coc(CN)cc1=O
InChIInChI=1S/C10H16N2O3/c1-12(2)3-4-14-10-7-15-8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHLUVRFVUMCNJEA-UHFFFAOYSA-N
XLogP0.04
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one?
The IUPAC name of 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one (CID 82064050) is 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one?
The canonical SMILES for 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one is CN(C)CCOc1coc(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one?
The InChIKey is HLUVRFVUMCNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12(2)3-4-14-10-7-15-8(6-11)5-9(10)13/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one?
2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one has a molecular weight of 212.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one is sourced from PubChem (CID 82064050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).