2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one

C14H17NO2 — CID 122403145

IUPAC2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one
SMILESCON1C(=O)c2ccccc2C12CCCCC2
InChIInChI=1S/C14H17NO2/c1-17-15-13(16)11-7-3-4-8-12(11)14(15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFPJYASQPWDEATL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.86
Rot. Bonds1

About 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one

2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one (PubChem CID 122403145) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one.

Molecular Properties

Compound Name2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one
PubChem CID122403145
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one
SMILESCON1C(=O)c2ccccc2C12CCCCC2
InChIInChI=1S/C14H17NO2/c1-17-15-13(16)11-7-3-4-8-12(11)14(15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFPJYASQPWDEATL-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one?
The IUPAC name of 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one (CID 122403145) is 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one.
What is the SMILES notation for 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one?
The canonical SMILES for 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one is CON1C(=O)c2ccccc2C12CCCCC2.
What is the InChIKey of 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one?
The InChIKey is FPJYASQPWDEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-15-13(16)11-7-3-4-8-12(11)14(15)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one?
2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one has a molecular weight of 231.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one is sourced from PubChem (CID 122403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).