2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one

C12H17NO4 — CID 82064672

IUPAC2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCN1CCOCC1
InChIInChI=1S/C12H17NO4/c1-10-12(11(14)2-6-16-10)17-9-5-13-3-7-15-8-4-13/h2,6H,3-5,7-9H2,1H3
InChIKeyPXZKRKNXWUYYBQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.66
Rot. Bonds4

About 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one

2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one (PubChem CID 82064672) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one
PubChem CID82064672
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCN1CCOCC1
InChIInChI=1S/C12H17NO4/c1-10-12(11(14)2-6-16-10)17-9-5-13-3-7-15-8-4-13/h2,6H,3-5,7-9H2,1H3
InChIKeyPXZKRKNXWUYYBQ-UHFFFAOYSA-N
XLogP0.66
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-{[2-(trifluoromethyl)morpholin-4-yl]methyl}-4H-pyran-4-one
CID 56871732
5-methoxy-2-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]pyran-4-one
CID 95551731
5-methoxy-2-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]pyran-4-one
CID 95551732
5-Hydroxy-2-(morpholinomethyl)-4H-pyran-4-one
CID 3318252
2-(Morpholin-4-ylmethyl)pyran-4-one
CID 87246582
3-Hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one
CID 88803102
2-Ethenoxy-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
CID 13170159
2-Methoxy-5-(morpholin-4-yl)cyclohexa-2,5-diene-1,4-dione
CID 13170160
3-hydroxy-6-methyl-2-(morpholinomethyl)-4H-pyran-4-one
CID 52905509
2-((6-(morpholinomethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 60177213
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
2-(Chloromethyl)-5-(2-morpholin-4-ylethoxy)pyran-4-one
CID 82064010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one (CID 82064672) is 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one is Cc1occc(=O)c1OCCN1CCOCC1.
What is the InChIKey of 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one?
The InChIKey is PXZKRKNXWUYYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-10-12(11(14)2-6-16-10)17-9-5-13-3-7-15-8-4-13/h2,6H,3-5,7-9H2,1H3.
What are the key properties of 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one?
2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one has a molecular weight of 239.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-morpholin-4-ylethoxy)pyran-4-one is sourced from PubChem (CID 82064672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).