1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone

C16H19NO3 — CID 97108997

IUPAC1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2coc3ccccc23)C(C)(C)CO1
InChIInChI=1S/C16H19NO3/c1-11-8-17(16(2,3)10-20-11)15(18)13-9-19-14-7-5-4-6-12(13)14/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyXIAFLQZVYCVLBU-LLVKDONJSA-N
MW273.33 g/mol
LogP3.07
Rot. Bonds1

About 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone

1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone (PubChem CID 97108997) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
PubChem CID97108997
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2coc3ccccc23)C(C)(C)CO1
InChIInChI=1S/C16H19NO3/c1-11-8-17(16(2,3)10-20-11)15(18)13-9-19-14-7-5-4-6-12(13)14/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyXIAFLQZVYCVLBU-LLVKDONJSA-N
XLogP3.07
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-carbonyl)-2,2-dimethylpyrrolidin-3-one
CID 115275136
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
1-benzofuran-3-yl-(3-bromopyrrolidin-1-yl)methanone
CID 80677908
1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775843
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
CID 119597356
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624414
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
CID 110353783
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone (CID 97108997) is 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2coc3ccccc23)C(C)(C)CO1.
What is the InChIKey of 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone?
The InChIKey is XIAFLQZVYCVLBU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-8-17(16(2,3)10-20-11)15(18)13-9-19-14-7-5-4-6-12(13)14/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone?
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone has a molecular weight of 273.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 97108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).