6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one

C13H14ClNO2 — CID 67962414

IUPAC6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12
InChIInChI=1S/C13H14ClNO2/c1-15-6-4-13(5-7-15)11-3-2-9(14)8-10(11)12(16)17-13/h2-3,8H,4-7H2,1H3
InChIKeyUQPKAYUADJIAMQ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.43
Rot. Bonds

About 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one

6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 67962414) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID67962414
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12
InChIInChI=1S/C13H14ClNO2/c1-15-6-4-13(5-7-15)11-3-2-9(14)8-10(11)12(16)17-13/h2-3,8H,4-7H2,1H3
InChIKeyUQPKAYUADJIAMQ-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one (CID 67962414) is 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one is CN1CCC2(CC1)OC(=O)c1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is UQPKAYUADJIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-6-4-13(5-7-15)11-3-2-9(14)8-10(11)12(16)17-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one?
6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 251.71 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 67962414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).