4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride

C15H20ClNO2 — CID 12717450

IUPAC4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride
SMILESCN(C)C1CCC2(CC1)OC(=O)c1ccccc12.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-16(2)11-7-9-15(10-8-11)13-6-4-3-5-12(13)14(17)18-15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyFOAVAYPYBZXHBB-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.98
Rot. Bonds1

About 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride

4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride (PubChem CID 12717450) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride.

Molecular Properties

Compound Name4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride
PubChem CID12717450
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride
SMILESCN(C)C1CCC2(CC1)OC(=O)c1ccccc12.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-16(2)11-7-9-15(10-8-11)13-6-4-3-5-12(13)14(17)18-15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyFOAVAYPYBZXHBB-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride?
The IUPAC name of 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride (CID 12717450) is 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride.
What is the SMILES notation for 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride?
The canonical SMILES for 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride is CN(C)C1CCC2(CC1)OC(=O)c1ccccc12.Cl.
What is the InChIKey of 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride?
The InChIKey is FOAVAYPYBZXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-16(2)11-7-9-15(10-8-11)13-6-4-3-5-12(13)14(17)18-15;/h3-6,11H,7-10H2,1-2H3;1H.
What are the key properties of 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride?
4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(dimethylamino)spiro[2-benzofuran-3,1'-cyclohexane]-1-one;hydrochloride is sourced from PubChem (CID 12717450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).