2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one

C12H18N2O4 — CID 82064054

IUPAC2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one
SMILESNCc1cc(=O)c(OCCN2CCOCC2)co1
InChIInChI=1S/C12H18N2O4/c13-8-10-7-11(15)12(9-18-10)17-6-3-14-1-4-16-5-2-14/h7,9H,1-6,8,13H2
InChIKeyIISXPCSOYBLGGQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.19
Rot. Bonds5

About 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one

2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one (PubChem CID 82064054) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one
PubChem CID82064054
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one
SMILESNCc1cc(=O)c(OCCN2CCOCC2)co1
InChIInChI=1S/C12H18N2O4/c13-8-10-7-11(15)12(9-18-10)17-6-3-14-1-4-16-5-2-14/h7,9H,1-6,8,13H2
InChIKeyIISXPCSOYBLGGQ-UHFFFAOYSA-N
XLogP-0.19
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Hydroxy-2-(morpholinomethyl)-4H-pyran-4-one
CID 3318252
Bis[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)oxyethyl]azanium
CID 167335076
4-Oxo-6-(piperazin-1-ium-1-ylmethyl)pyran-3-olate
CID 33679501
5-methoxy-2-[(piperazin-1-yl)methyl]-4H-pyran-4-one
CID 45496557
2-((4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-3-yl)oxy)acetamide
CID 60175723
2-((6-(morpholinomethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 60177213
5-Methoxy-2-(piperazin-1-ylmethyl)-4H-pyran-4-one dihydrochloride
CID 71827998
5-Hydroxy-2-[[2-(methylaminomethyl)morpholin-4-yl]methyl]pyran-4-one
CID 81685852
5-Hydroxy-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]pyran-4-one
CID 81686478
2-(Aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 82064049
2-(Aminomethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one
CID 82064050
2-(Aminomethyl)-5-(2-piperidin-1-ylethoxy)pyran-4-one
CID 82064052

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one?
The IUPAC name of 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one (CID 82064054) is 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one is NCc1cc(=O)c(OCCN2CCOCC2)co1.
What is the InChIKey of 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one?
The InChIKey is IISXPCSOYBLGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-8-10-7-11(15)12(9-18-10)17-6-3-14-1-4-16-5-2-14/h7,9H,1-6,8,13H2.
What are the key properties of 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one?
2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one has a molecular weight of 254.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one is sourced from PubChem (CID 82064054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).