4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one

C13H16N2O3 — CID 177238856

IUPAC4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
SMILESCOc1cc2c(cc1N1CCOCC1=O)CNC2
InChIInChI=1S/C13H16N2O3/c1-17-12-5-10-7-14-6-9(10)4-11(12)15-2-3-18-8-13(15)16/h4-5,14H,2-3,6-8H2,1H3
InChIKeyVUJHMHOIXYDZSP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.66
Rot. Bonds2

About 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one

4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one (PubChem CID 177238856) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
PubChem CID177238856
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
SMILESCOc1cc2c(cc1N1CCOCC1=O)CNC2
InChIInChI=1S/C13H16N2O3/c1-17-12-5-10-7-14-6-9(10)4-11(12)15-2-3-18-8-13(15)16/h4-5,14H,2-3,6-8H2,1H3
InChIKeyVUJHMHOIXYDZSP-UHFFFAOYSA-N
XLogP0.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
CID 177238780
4-(2-methoxy-4-methylphenyl)morpholin-3-one
CID 165482194
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
CID 165482080
1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one
CID 177239260
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
CID 116838151
4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one
CID 141122127
4-methyl-3-(3-oxomorpholin-4-yl)benzoic acid
CID 82513246

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one?
The IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one (CID 177238856) is 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one.
What is the SMILES notation for 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one?
The canonical SMILES for 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one is COc1cc2c(cc1N1CCOCC1=O)CNC2.
What is the InChIKey of 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one?
The InChIKey is VUJHMHOIXYDZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12-5-10-7-14-6-9(10)4-11(12)15-2-3-18-8-13(15)16/h4-5,14H,2-3,6-8H2,1H3.
What are the key properties of 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one?
4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one has a molecular weight of 248.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one is sourced from PubChem (CID 177238856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).