4-morpholin-4-ylchromen-2-one

C13H13NO3 — CID 804048

IUPAC4-morpholin-4-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccccc2o1
InChIInChI=1S/C13H13NO3/c15-13-9-11(14-5-7-16-8-6-14)10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2
InChIKeyYJXJQEJDZPLPTQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.63
Rot. Bonds1

About 4-morpholin-4-ylchromen-2-one

4-morpholin-4-ylchromen-2-one (PubChem CID 804048) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-morpholin-4-ylchromen-2-one.

Molecular Properties

Compound Name4-morpholin-4-ylchromen-2-one
PubChem CID804048
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-morpholin-4-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccccc2o1
InChIInChI=1S/C13H13NO3/c15-13-9-11(14-5-7-16-8-6-14)10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2
InChIKeyYJXJQEJDZPLPTQ-UHFFFAOYSA-N
XLogP1.63
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-morpholin-4-ylchromen-2-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 4-morpholin-4-ylchromen-2-one?
The IUPAC name of 4-morpholin-4-ylchromen-2-one (CID 804048) is 4-morpholin-4-ylchromen-2-one.
What is the SMILES notation for 4-morpholin-4-ylchromen-2-one?
The canonical SMILES for 4-morpholin-4-ylchromen-2-one is O=c1cc(N2CCOCC2)c2ccccc2o1.
What is the InChIKey of 4-morpholin-4-ylchromen-2-one?
The InChIKey is YJXJQEJDZPLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13-9-11(14-5-7-16-8-6-14)10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2.
What are the key properties of 4-morpholin-4-ylchromen-2-one?
4-morpholin-4-ylchromen-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylchromen-2-one is sourced from PubChem (CID 804048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).