4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one

C14H18N2O3 — CID 177238780

IUPAC4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
SMILESCOc1cc2c(cc1N1CCOCC1=O)CN(C)C2
InChIInChI=1S/C14H18N2O3/c1-15-7-10-5-12(13(18-2)6-11(10)8-15)16-3-4-19-9-14(16)17/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWEHUROSEQJNHJO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds2

About 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one

4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one (PubChem CID 177238780) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
PubChem CID177238780
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
SMILESCOc1cc2c(cc1N1CCOCC1=O)CN(C)C2
InChIInChI=1S/C14H18N2O3/c1-15-7-10-5-12(13(18-2)6-11(10)8-15)16-3-4-19-9-14(16)17/h5-6H,3-4,7-9H2,1-2H3
InChIKeyWEHUROSEQJNHJO-UHFFFAOYSA-N
XLogP1.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
CID 177238856
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
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
CID 165482080
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
CID 90078115
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-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one?
The IUPAC name of 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one (CID 177238780) is 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one.
What is the SMILES notation for 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one?
The canonical SMILES for 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one is COc1cc2c(cc1N1CCOCC1=O)CN(C)C2.
What is the InChIKey of 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one?
The InChIKey is WEHUROSEQJNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-7-10-5-12(13(18-2)6-11(10)8-15)16-3-4-19-9-14(16)17/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one?
4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one has a molecular weight of 262.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one is sourced from PubChem (CID 177238780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).