(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C11H14BrNO3 — CID 106852656

IUPAC(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccoc2Br)CCO1
InChIInChI=1S/C11H14BrNO3/c1-11(2)7-13(4-6-16-11)10(14)8-3-5-15-9(8)12/h3,5H,4,6-7H2,1-2H3
InChIKeyMEPSRFGSLNTVKT-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.29
Rot. Bonds1

About (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 106852656) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID106852656
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccoc2Br)CCO1
InChIInChI=1S/C11H14BrNO3/c1-11(2)7-13(4-6-16-11)10(14)8-3-5-15-9(8)12/h3,5H,4,6-7H2,1-2H3
InChIKeyMEPSRFGSLNTVKT-UHFFFAOYSA-N
XLogP2.29
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151780
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(2-bromofuran-3-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404696
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
7-(2-bromofuran-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106854189
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 106852656) is (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccoc2Br)CCO1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is MEPSRFGSLNTVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2)7-13(4-6-16-11)10(14)8-3-5-15-9(8)12/h3,5H,4,6-7H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 288.14 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 106852656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).