7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione

C13H13NO2 — CID 104696989

IUPAC7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
SMILESCc1ccc2c(c1)C(=O)NC(=O)C21CCC1
InChIInChI=1S/C13H13NO2/c1-8-3-4-10-9(7-8)11(15)14-12(16)13(10)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyRYUDXJOWQXWUGG-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.69
Rot. Bonds

About 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione

7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione (PubChem CID 104696989) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Name7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
PubChem CID104696989
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
SMILESCc1ccc2c(c1)C(=O)NC(=O)C21CCC1
InChIInChI=1S/C13H13NO2/c1-8-3-4-10-9(7-8)11(15)14-12(16)13(10)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyRYUDXJOWQXWUGG-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-7-methylisoquinoline-1,3-dione
CID 104696993
6-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2'-one
CID 105468845
4',4'-difluoro-6-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70960495
6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
CID 115010954
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
ethane;7-methyl-4H-isoquinoline-1,3-dione
CID 143015596
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
1',5-dimethylspiro[1H-indole-3,3'-piperidine]-2-one
CID 10220227
5-methylisoindole-1,3-dione;propane
CID 156794481
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796

Frequently Asked Questions

What is the IUPAC name of 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione?
The IUPAC name of 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione (CID 104696989) is 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione is Cc1ccc2c(c1)C(=O)NC(=O)C21CCC1.
What is the InChIKey of 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione?
The InChIKey is RYUDXJOWQXWUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-3-4-10-9(7-8)11(15)14-12(16)13(10)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione?
7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione has a molecular weight of 215.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 104696989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).