1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

C16H21NO4 — CID 81195757

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO4/c1-11-10-21-14(9-18)7-17(11)8-15(19)12-2-3-16-13(6-12)4-5-20-16/h2-3,6,11,14,18H,4-5,7-10H2,1H3
InChIKeyMKUOPOUIGSTOCG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.89
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 81195757) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID81195757
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO4/c1-11-10-21-14(9-18)7-17(11)8-15(19)12-2-3-16-13(6-12)4-5-20-16/h2-3,6,11,14,18H,4-5,7-10H2,1H3
InChIKeyMKUOPOUIGSTOCG-UHFFFAOYSA-N
XLogP0.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884646
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 81204408
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 63217755
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (CID 81195757) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is CC1COC(CO)CN1CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is MKUOPOUIGSTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-10-21-14(9-18)7-17(11)8-15(19)12-2-3-16-13(6-12)4-5-20-16/h2-3,6,11,14,18H,4-5,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 81195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).