4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one

C14H17NO3 — CID 137351137

IUPAC4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1c([C@@H]2CNCC(C)O2)ccc2c1COC2=O
InChIInChI=1S/C14H17NO3/c1-8-5-15-6-13(18-8)10-3-4-11-12(9(10)2)7-17-14(11)16/h3-4,8,13,15H,5-7H2,1-2H3/t8?,13-/m0/s1
InChIKeyCUFHJTAXLIBYED-RLROJCQXSA-N
MW247.29 g/mol
LogP1.71
Rot. Bonds1

About 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one

4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one (PubChem CID 137351137) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one
PubChem CID137351137
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1c([C@@H]2CNCC(C)O2)ccc2c1COC2=O
InChIInChI=1S/C14H17NO3/c1-8-5-15-6-13(18-8)10-3-4-11-12(9(10)2)7-17-14(11)16/h3-4,8,13,15H,5-7H2,1-2H3/t8?,13-/m0/s1
InChIKeyCUFHJTAXLIBYED-RLROJCQXSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[(2R)-oxiran-2-yl]-3H-2-benzofuran-1-one
CID 59568646
5-(5-hydroxypiperidin-3-yl)-4-methyl-3H-2-benzofuran-1-one
CID 159049369
5-[(2R,6R)-6-(hydroxymethyl)piperazin-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 137351197
2-methyl-6-(2-methylphenyl)morpholine
CID 43367022
5-(5-ethyl-1,4-oxazepan-2-yl)-4-methyl-3H-2-benzofuran-1-one
CID 123745622
5-fluoro-4-methyl-3H-2-benzofuran-1-one
CID 130120798
4-methyl-1-oxo-3H-2-benzofuran-5-carbonitrile
CID 122620206
1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one
CID 175242327
5-(3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepin-3-yl)-4-methyl-3H-2-benzofuran-1-one
CID 90247546
[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate
CID 137350947
5-bromo-4-methyl-3H-2-benzofuran-1-one;ethane
CID 142367482
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one (CID 137351137) is 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one is Cc1c([C@@H]2CNCC(C)O2)ccc2c1COC2=O.
What is the InChIKey of 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is CUFHJTAXLIBYED-RLROJCQXSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-15-6-13(18-8)10-3-4-11-12(9(10)2)7-17-14(11)16/h3-4,8,13,15H,5-7H2,1-2H3/t8?,13-/m0/s1.
What are the key properties of 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one?
4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 137351137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).