2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone

C11H16BrNO2 — CID 83845172

IUPAC2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
SMILESCCC(CC)c1oc(C(=O)CN)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-3-7(4-2)11-8(12)5-10(15-11)9(14)6-13/h5,7H,3-4,6,13H2,1-2H3
InChIKeyOARFPCIGCRMBMM-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.09
Rot. Bonds5

About 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone

2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone (PubChem CID 83845172) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
PubChem CID83845172
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
SMILESCCC(CC)c1oc(C(=O)CN)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-3-7(4-2)11-8(12)5-10(15-11)9(14)6-13/h5,7H,3-4,6,13H2,1-2H3
InChIKeyOARFPCIGCRMBMM-UHFFFAOYSA-N
XLogP3.09
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine
CID 84809694
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
CID 67834737
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-ethylbutanoate
CID 60554739
2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 84694595
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
CID 83711359
2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
CID 83843681
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
CID 15350193
2-amino-1-(8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 117483080
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
2-(2-aminoacetyl)-6-methylfuro[2,3-b]pyrrole-5-carbaldehyde
CID 82610277

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone (CID 83845172) is 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone is CCC(CC)c1oc(C(=O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone?
The InChIKey is OARFPCIGCRMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-7(4-2)11-8(12)5-10(15-11)9(14)6-13/h5,7H,3-4,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone?
2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone has a molecular weight of 274.16 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone is sourced from PubChem (CID 83845172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).