spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

C11H9NO2 — CID 57336667

IUPACspiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CC2)c2ccccc21
InChIInChI=1S/C11H9NO2/c13-9-7-3-1-2-4-8(7)11(5-6-11)10(14)12-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyGLVMLLRAWVMDQC-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.99
Rot. Bonds

About spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione (PubChem CID 57336667) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Namespiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
PubChem CID57336667
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Namespiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CC2)c2ccccc21
InChIInChI=1S/C11H9NO2/c13-9-7-3-1-2-4-8(7)11(5-6-11)10(14)12-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyGLVMLLRAWVMDQC-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione?
The IUPAC name of spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione (CID 57336667) is spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione is O=C1NC(=O)C2(CC2)c2ccccc21.
What is the InChIKey of spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione?
The InChIKey is GLVMLLRAWVMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-9-7-3-1-2-4-8(7)11(5-6-11)10(14)12-9/h1-4H,5-6H2,(H,12,13,14).
What are the key properties of spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione?
spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione has a molecular weight of 187.20 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 57336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).