5-pyridin-4-ylmorpholin-3-one

C9H10N2O2 — CID 130045399

IUPAC5-pyridin-4-ylmorpholin-3-one
SMILESO=C1COCC(c2ccncc2)N1
InChIInChI=1S/C9H10N2O2/c12-9-6-13-5-8(11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKeyKLADRYONBIOZAS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.27
Rot. Bonds1

About 5-pyridin-4-ylmorpholin-3-one

5-pyridin-4-ylmorpholin-3-one (PubChem CID 130045399) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-pyridin-4-ylmorpholin-3-one.

Molecular Properties

Compound Name5-pyridin-4-ylmorpholin-3-one
PubChem CID130045399
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-pyridin-4-ylmorpholin-3-one
SMILESO=C1COCC(c2ccncc2)N1
InChIInChI=1S/C9H10N2O2/c12-9-6-13-5-8(11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKeyKLADRYONBIOZAS-UHFFFAOYSA-N
XLogP0.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(4-bromophenyl)morpholin-3-one
CID 124583230
(5S)-5-(2-bromo-4-pyridinyl)morpholin-3-one
CID 130699843
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
(5R)-5-(4-chloro-3-pyridinyl)morpholin-3-one
CID 129415968
5-(4-chloro-3-pyridinyl)morpholin-3-one
CID 119085580
(5S)-5-pyridin-2-ylmorpholin-3-one
CID 131099738
(5R)-5-(3-chloro-2-pyridinyl)morpholin-3-one
CID 130658822
5-thiophen-2-ylmorpholin-3-one
CID 126971724
3-(5-oxomorpholin-3-yl)benzaldehyde
CID 115023846
(5S)-5-(6-methyl-2-pyridinyl)morpholin-3-one
CID 130665369
(5R)-5-(6-oxo-1H-pyridin-2-yl)morpholin-3-one
CID 130715121
(5S)-5-(2-oxo-1H-pyridin-3-yl)morpholin-3-one
CID 130634453

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylmorpholin-3-one?
The IUPAC name of 5-pyridin-4-ylmorpholin-3-one (CID 130045399) is 5-pyridin-4-ylmorpholin-3-one.
What is the SMILES notation for 5-pyridin-4-ylmorpholin-3-one?
The canonical SMILES for 5-pyridin-4-ylmorpholin-3-one is O=C1COCC(c2ccncc2)N1.
What is the InChIKey of 5-pyridin-4-ylmorpholin-3-one?
The InChIKey is KLADRYONBIOZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9-6-13-5-8(11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12).
What are the key properties of 5-pyridin-4-ylmorpholin-3-one?
5-pyridin-4-ylmorpholin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylmorpholin-3-one is sourced from PubChem (CID 130045399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).