(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone

C11H14BrNO3 — CID 56814055

IUPAC(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1cc(Br)oc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H14BrNO3/c1-7-5-9(12)16-10(7)11(14)13-3-4-15-8(2)6-13/h5,8H,3-4,6H2,1-2H3
InChIKeyCQYCWWNXYPQBGY-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.21
Rot. Bonds1

About (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone

(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 56814055) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID56814055
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1cc(Br)oc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H14BrNO3/c1-7-5-9(12)16-10(7)11(14)13-3-4-15-8(2)6-13/h5,8H,3-4,6H2,1-2H3
InChIKeyCQYCWWNXYPQBGY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-3-methylfuran-2-yl)methanone
CID 120810041
(5-bromo-3-methylfuran-2-yl)-[(2S)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]methanone
CID 100699558
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 56814055) is (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone is Cc1cc(Br)oc1C(=O)N1CCOC(C)C1.
What is the InChIKey of (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is CQYCWWNXYPQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7-5-9(12)16-10(7)11(14)13-3-4-15-8(2)6-13/h5,8H,3-4,6H2,1-2H3.
What are the key properties of (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone?
(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 288.14 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 56814055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).