1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one

C15H15NO2 — CID 101359707

IUPAC1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one
SMILESCOC1=CCC=CC12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H15NO2/c1-16-12-8-4-3-7-11(12)15(14(16)17)10-6-5-9-13(15)18-2/h3-4,6-10H,5H2,1-2H3
InChIKeyBVIHQZANJQYBQS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.39
Rot. Bonds1

About 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one

1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one (PubChem CID 101359707) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one.

Molecular Properties

Compound Name1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one
PubChem CID101359707
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one
SMILESCOC1=CCC=CC12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H15NO2/c1-16-12-8-4-3-7-11(12)15(14(16)17)10-6-5-9-13(15)18-2/h3-4,6-10H,5H2,1-2H3
InChIKeyBVIHQZANJQYBQS-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one?
The IUPAC name of 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one (CID 101359707) is 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one.
What is the SMILES notation for 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one?
The canonical SMILES for 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one is COC1=CCC=CC12C(=O)N(C)c1ccccc12.
What is the InChIKey of 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one?
The InChIKey is BVIHQZANJQYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-12-8-4-3-7-11(12)15(14(16)17)10-6-5-9-13(15)18-2/h3-4,6-10H,5H2,1-2H3.
What are the key properties of 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one?
1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one has a molecular weight of 241.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1'-methylspiro[cyclohexa-1,4-diene-6,3'-indole]-2'-one is sourced from PubChem (CID 101359707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).