[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone

C11H14BrNO3 — CID 114823430

IUPAC[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CBr)co1
InChIInChI=1S/C11H14BrNO3/c1-8-4-9(6-16-8)11(14)13-2-3-15-7-10(13)5-12/h4,6,10H,2-3,5,7H2,1H3
InChIKeyDDXBPDYLMMZBTO-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.82
Rot. Bonds2

About [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone

[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 114823430) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone
PubChem CID114823430
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CBr)co1
InChIInChI=1S/C11H14BrNO3/c1-8-4-9(6-16-8)11(14)13-2-3-15-7-10(13)5-12/h4,6,10H,2-3,5,7H2,1H3
InChIKeyDDXBPDYLMMZBTO-UHFFFAOYSA-N
XLogP1.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
[3-(bromomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811388
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
CID 125118869
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017010
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673227
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone (CID 114823430) is [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCOCC2CBr)co1.
What is the InChIKey of [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is DDXBPDYLMMZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-8-4-9(6-16-8)11(14)13-2-3-15-7-10(13)5-12/h4,6,10H,2-3,5,7H2,1H3.
What are the key properties of [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone?
[3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 288.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)morpholin-4-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114823430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).