6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one

C14H17NO2 — CID 91492916

IUPAC6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2c(c1C)C(=O)OC21CCNCC1
InChIInChI=1S/C14H17NO2/c1-9-3-4-11-12(10(9)2)13(16)17-14(11)5-7-15-8-6-14/h3-4,15H,5-8H2,1-2H3
InChIKeyZUAMOQRGLKOJPL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.05
Rot. Bonds

About 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one

6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 91492916) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID91492916
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1ccc2c(c1C)C(=O)OC21CCNCC1
InChIInChI=1S/C14H17NO2/c1-9-3-4-11-12(10(9)2)13(16)17-14(11)5-7-15-8-6-14/h3-4,15H,5-8H2,1-2H3
InChIKeyZUAMOQRGLKOJPL-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90701563
5-(3-fluoro-4-methylphenyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 139378991
6-bromospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 74889673
7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90952953
3-benzyl-3,6,7-trimethyl-2-benzofuran-1-one
CID 121005754
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
CID 103430987
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91412628
7-[6-chloro-2-(4-methylpiperazine-1-carbonyl)-1H-indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91360777
5-ethylspiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 178050346

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one (CID 91492916) is 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one is Cc1ccc2c(c1C)C(=O)OC21CCNCC1.
What is the InChIKey of 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is ZUAMOQRGLKOJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-3-4-11-12(10(9)2)13(16)17-14(11)5-7-15-8-6-14/h3-4,15H,5-8H2,1-2H3.
What are the key properties of 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one?
6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 91492916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).