3-morpholin-4-ylchromen-4-one

C13H13NO3 — CID 4557762

IUPAC3-morpholin-4-ylchromen-4-one
SMILESO=c1c(N2CCOCC2)coc2ccccc12
InChIInChI=1S/C13H13NO3/c15-13-10-3-1-2-4-12(10)17-9-11(13)14-5-7-16-8-6-14/h1-4,9H,5-8H2
InChIKeyDBSFOQMKGXPWOB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.63
Rot. Bonds1

About 3-morpholin-4-ylchromen-4-one

3-morpholin-4-ylchromen-4-one (PubChem CID 4557762) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name3-morpholin-4-ylchromen-4-one
PubChem CID4557762
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-morpholin-4-ylchromen-4-one
SMILESO=c1c(N2CCOCC2)coc2ccccc12
InChIInChI=1S/C13H13NO3/c15-13-10-3-1-2-4-12(10)17-9-11(13)14-5-7-16-8-6-14/h1-4,9H,5-8H2
InChIKeyDBSFOQMKGXPWOB-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

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Related Compounds

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
2-(4-Morpholinyl)-4H-1-benzopyran-4-one
CID 131255
3-piperidino-4H-chromen-4-one
CID 615208
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
8-Methyl-2-morpholin-4-yl-chromen-4-one
CID 10083230
2-Morpholin-4-yl-8-styrylchromen-4-one
CID 11709748
2-[1-(2-Phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591
4-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-4-methyl-morpholin-4-ium
CID 9549493
2-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 10616657
6-(2-Piperidin-1-ylethoxy)chromen-4-one
CID 141195299
Chromenone VII
CID 141195342

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylchromen-4-one?
The IUPAC name of 3-morpholin-4-ylchromen-4-one (CID 4557762) is 3-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 3-morpholin-4-ylchromen-4-one?
The canonical SMILES for 3-morpholin-4-ylchromen-4-one is O=c1c(N2CCOCC2)coc2ccccc12.
What is the InChIKey of 3-morpholin-4-ylchromen-4-one?
The InChIKey is DBSFOQMKGXPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13-10-3-1-2-4-12(10)17-9-11(13)14-5-7-16-8-6-14/h1-4,9H,5-8H2.
What are the key properties of 3-morpholin-4-ylchromen-4-one?
3-morpholin-4-ylchromen-4-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 3-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 4557762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).