2-(morpholin-4-ylmethyl)pyran-4-one

C10H13NO3 — CID 87246582

IUPAC2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1ccoc(CN2CCOCC2)c1
InChIInChI=1S/C10H13NO3/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11/h1,4,7H,2-3,5-6,8H2
InChIKeyWYMFJTZBKFGLOY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.47
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)pyran-4-one

2-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 87246582) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID87246582
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1ccoc(CN2CCOCC2)c1
InChIInChI=1S/C10H13NO3/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11/h1,4,7H,2-3,5-6,8H2
InChIKeyWYMFJTZBKFGLOY-UHFFFAOYSA-N
XLogP0.47
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)pyran-4-one (CID 87246582) is 2-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pyran-4-one is O=c1ccoc(CN2CCOCC2)c1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is WYMFJTZBKFGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11/h1,4,7H,2-3,5-6,8H2.
What are the key properties of 2-(morpholin-4-ylmethyl)pyran-4-one?
2-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 87246582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).