7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one

C13H15NO2 — CID 84622575

IUPAC7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1ccc(C)c2c1NC(=O)C21CCC1
InChIInChI=1S/C13H15NO2/c1-8-4-5-9(16-2)11-10(8)13(6-3-7-13)12(15)14-11/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyXBZBGZGBZLWDGX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.38
Rot. Bonds1

About 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one

7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 84622575) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID84622575
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCOc1ccc(C)c2c1NC(=O)C21CCC1
InChIInChI=1S/C13H15NO2/c1-8-4-5-9(16-2)11-10(8)13(6-3-7-13)12(15)14-11/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyXBZBGZGBZLWDGX-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325
4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049258
5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84641314
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
7-methoxy-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
CID 106702053
7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 163293711
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one (CID 84622575) is 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one is COc1ccc(C)c2c1NC(=O)C21CCC1.
What is the InChIKey of 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is XBZBGZGBZLWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-5-9(16-2)11-10(8)13(6-3-7-13)12(15)14-11/h4-5H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one?
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 84622575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).