(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C12H16BrNO3 — CID 106853840

IUPAC(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)CC(C)(C)O1
InChIInChI=1S/C12H16BrNO3/c1-8-6-14(7-12(2,3)17-8)11(15)9-4-5-16-10(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyNFZYKJLLYBFXGT-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.68
Rot. Bonds1

About (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 106853840) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID106853840
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)CC(C)(C)O1
InChIInChI=1S/C12H16BrNO3/c1-8-6-14(7-12(2,3)17-8)11(15)9-4-5-16-10(9)13/h4-5,8H,6-7H2,1-3H3
InChIKeyNFZYKJLLYBFXGT-UHFFFAOYSA-N
XLogP2.68
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
2-[[2-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119182395
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124517050
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 106853840) is (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccoc2Br)CC(C)(C)O1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is NFZYKJLLYBFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-8-6-14(7-12(2,3)17-8)11(15)9-4-5-16-10(9)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of (2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 302.17 g/mol, XLogP of 2.68, 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)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 106853840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).