(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone

C13H15BrO2 — CID 106655795

IUPAC(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrO2/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h6,8-9H,1-5,7H2/b10-6+
InChIKeyQSSJWJJXKDSLRS-UXBLZVDNSA-N
MW283.16 g/mol
LogP4.51
Rot. Bonds2

About (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone

(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone (PubChem CID 106655795) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
PubChem CID106655795
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
SMILESO=C(/C1=C/CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrO2/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h6,8-9H,1-5,7H2/b10-6+
InChIKeyQSSJWJJXKDSLRS-UXBLZVDNSA-N
XLogP4.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl-(5-nitrofuran-2-yl)methanone
CID 55034030
cyclohepten-1-yl(furan-2-yl)methanone
CID 62080320
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
CID 106655438
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
cycloheptene-1-carboxamide
CID 22261654
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone (CID 106655795) is (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone is O=C(/C1=C/CCCCCC1)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone?
The InChIKey is QSSJWJJXKDSLRS-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h6,8-9H,1-5,7H2/b10-6+.
What are the key properties of (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone?
(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone has a molecular weight of 283.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone is sourced from PubChem (CID 106655795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).