(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C11H14BrNO3 — CID 106852628

IUPAC(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)C(C)CO1
InChIInChI=1S/C11H14BrNO3/c1-7-6-16-8(2)5-13(7)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQZKXVEZKWFUKOX-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.29
Rot. Bonds1

About (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 106852628) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID106852628
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)C(C)CO1
InChIInChI=1S/C11H14BrNO3/c1-7-6-16-8(2)5-13(7)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQZKXVEZKWFUKOX-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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Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 106852628) is (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccoc2Br)C(C)CO1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is QZKXVEZKWFUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7-6-16-8(2)5-13(7)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2-bromofuran-3-yl)-(2,5-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)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 106852628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).