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

C12H13BrClNO2 — CID 74889673

IUPAC6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO2.ClH/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12;/h1-2,7,14H,3-6H2;1H
InChIKeyCHNMBOHREFKQAV-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.62
Rot. Bonds

About 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride

6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride (PubChem CID 74889673) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
PubChem CID74889673
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO2.ClH/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12;/h1-2,7,14H,3-6H2;1H
InChIKeyCHNMBOHREFKQAV-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride (CID 74889673) is 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride is Cl.O=C1OC2(CCNCC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
The InChIKey is CHNMBOHREFKQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2.ClH/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12;/h1-2,7,14H,3-6H2;1H.
What are the key properties of 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride?
6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride has a molecular weight of 318.60 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 74889673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).