spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

C11H11NO2 — CID 5037303

IUPACspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESO=C1NC(=O)C2C1C1C=CC2C12CC2
InChIInChI=1S/C11H11NO2/c13-9-7-5-1-2-6(11(5)3-4-11)8(7)10(14)12-9/h1-2,5-8H,3-4H2,(H,12,13,14)
InChIKeyHJXSRFATLWUXRN-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.47
Rot. Bonds

About spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (PubChem CID 5037303) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.

Molecular Properties

Compound Namespiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
PubChem CID5037303
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namespiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
SMILESO=C1NC(=O)C2C1C1C=CC2C12CC2
InChIInChI=1S/C11H11NO2/c13-9-7-5-1-2-6(11(5)3-4-11)8(7)10(14)12-9/h1-2,5-8H,3-4H2,(H,12,13,14)
InChIKeyHJXSRFATLWUXRN-UHFFFAOYSA-N
XLogP0.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The IUPAC name of spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione (CID 5037303) is spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
What is the SMILES notation for spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The canonical SMILES for spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is O=C1NC(=O)C2C1C1C=CC2C12CC2.
What is the InChIKey of spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
The InChIKey is HJXSRFATLWUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-9-7-5-1-2-6(11(5)3-4-11)8(7)10(14)12-9/h1-2,5-8H,3-4H2,(H,12,13,14).
What are the key properties of spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione?
spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione has a molecular weight of 189.21 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is sourced from PubChem (CID 5037303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).