3-morpholin-3-yl-2,3-dihydrochromen-4-one

C13H15NO3 — CID 116698663

IUPAC3-morpholin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C1COCCN1
InChIInChI=1S/C13H15NO3/c15-13-9-3-1-2-4-12(9)17-7-10(13)11-8-16-6-5-14-11/h1-4,10-11,14H,5-8H2
InChIKeyLVBYQDBVLXMXFE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.87
Rot. Bonds1

About 3-morpholin-3-yl-2,3-dihydrochromen-4-one

3-morpholin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 116698663) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-morpholin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-morpholin-3-yl-2,3-dihydrochromen-4-one
PubChem CID116698663
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-morpholin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C1COCCN1
InChIInChI=1S/C13H15NO3/c15-13-9-3-1-2-4-12(9)17-7-10(13)11-8-16-6-5-14-11/h1-4,10-11,14H,5-8H2
InChIKeyLVBYQDBVLXMXFE-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-morpholin-3-yl-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-morpholin-3-yl-2,3-dihydrochromen-4-one (CID 116698663) is 3-morpholin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-morpholin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-morpholin-3-yl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1C1COCCN1.
What is the InChIKey of 3-morpholin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is LVBYQDBVLXMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13-9-3-1-2-4-12(9)17-7-10(13)11-8-16-6-5-14-11/h1-4,10-11,14H,5-8H2.
What are the key properties of 3-morpholin-3-yl-2,3-dihydrochromen-4-one?
3-morpholin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 116698663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).