4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one

C12H12BrNO2 — CID 84715163

IUPAC4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCNC2)c2c(Br)cccc21
InChIInChI=1S/C12H12BrNO2/c13-9-4-1-3-8-10(9)12(16-11(8)15)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2
InChIKeyAREJKHCQMRRDPS-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.20
Rot. Bonds

About 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one

4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 84715163) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID84715163
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCNC2)c2c(Br)cccc21
InChIInChI=1S/C12H12BrNO2/c13-9-4-1-3-8-10(9)12(16-11(8)15)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2
InChIKeyAREJKHCQMRRDPS-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103664
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 143197620
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
4-(3,3,3-trifluoropropanoyl)spiro[2-benzofuran-3,3'-azetidine]-1-one
CID 153499750
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 74889673
5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 178050346
8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 167718869
7-[1-(4-bromophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91055608
3-(2-bromo-6-hydroxyphenyl)pyrrolidin-3-ol
CID 117103918

Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one (CID 84715163) is 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCNC2)c2c(Br)cccc21.
What is the InChIKey of 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is AREJKHCQMRRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-9-4-1-3-8-10(9)12(16-11(8)15)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2.
What are the key properties of 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one?
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 282.14 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 84715163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).