1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one

C11H16N2O2 — CID 116622203

IUPAC1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCN1CCOC(Cn2ccc(=O)cc2)C1
InChIInChI=1S/C11H16N2O2/c1-12-6-7-15-11(8-12)9-13-4-2-10(14)3-5-13/h2-5,11H,6-9H2,1H3
InChIKeyBHJVGBVDSLDJSS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.18
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one

1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (PubChem CID 116622203) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
PubChem CID116622203
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCN1CCOC(Cn2ccc(=O)cc2)C1
InChIInChI=1S/C11H16N2O2/c1-12-6-7-15-11(8-12)9-13-4-2-10(14)3-5-13/h2-5,11H,6-9H2,1H3
InChIKeyBHJVGBVDSLDJSS-UHFFFAOYSA-N
XLogP0.18
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one (CID 116622203) is 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is CN1CCOC(Cn2ccc(=O)cc2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
The InChIKey is BHJVGBVDSLDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-6-7-15-11(8-12)9-13-4-2-10(14)3-5-13/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one?
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 116622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).