2-(4-Morpholinyl)-4H-1-benzopyran-4-one

C13H13NO3 — CID 131255

IUPAC2-morpholin-4-ylchromen-4-one
SMILESC1COCCN1C2=CC(=O)C3=CC=CC=C3O2
InChIInChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyQNFWERYZJLBANZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.90
Rot. Bonds1

About 2-(4-Morpholinyl)-4H-1-benzopyran-4-one

2-(4-Morpholinyl)-4H-1-benzopyran-4-one (PubChem CID 131255) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name2-(4-Morpholinyl)-4H-1-benzopyran-4-one
PubChem CID131255
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-morpholin-4-ylchromen-4-one
SMILESC1COCCN1C2=CC(=O)C3=CC=CC=C3O2
InChIInChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyQNFWERYZJLBANZ-UHFFFAOYSA-N
XLogP1.90
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity334

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Morpholinyl)-4H-1-benzopyran-4-one?
The IUPAC name of 2-(4-Morpholinyl)-4H-1-benzopyran-4-one (CID 131255) is 2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 2-(4-Morpholinyl)-4H-1-benzopyran-4-one?
The canonical SMILES for 2-(4-Morpholinyl)-4H-1-benzopyran-4-one is C1COCCN1C2=CC(=O)C3=CC=CC=C3O2.
What is the InChIKey of 2-(4-Morpholinyl)-4H-1-benzopyran-4-one?
The InChIKey is QNFWERYZJLBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2.
What are the key properties of 2-(4-Morpholinyl)-4H-1-benzopyran-4-one?
2-(4-Morpholinyl)-4H-1-benzopyran-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Morpholinyl)-4H-1-benzopyran-4-one is sourced from PubChem (CID 131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).