5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone

C12H12N2O4 — CID 619094

IUPAC5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone
SMILESO=C1C2C3C(=O)N1CCCCN1C(=O)C2C3C1=O
InChIInChI=1S/C12H12N2O4/c15-9-5-6-8-7(5)11(17)14(12(8)18)4-2-1-3-13(9)10(6)16/h5-8H,1-4H2
InChIKeyGTYORRZRUMMGNJ-UHFFFAOYSA-N
MW248.24 g/mol
LogP-1.00
Rot. Bonds

About 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone

5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone (PubChem CID 619094) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone.

Molecular Properties

Compound Name5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone
PubChem CID619094
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone
SMILESO=C1C2C3C(=O)N1CCCCN1C(=O)C2C3C1=O
InChIInChI=1S/C12H12N2O4/c15-9-5-6-8-7(5)11(17)14(12(8)18)4-2-1-3-13(9)10(6)16/h5-8H,1-4H2
InChIKeyGTYORRZRUMMGNJ-UHFFFAOYSA-N
XLogP-1.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone?
The IUPAC name of 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone (CID 619094) is 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone.
What is the SMILES notation for 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone?
The canonical SMILES for 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone is O=C1C2C3C(=O)N1CCCCN1C(=O)C2C3C1=O.
What is the InChIKey of 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone?
The InChIKey is GTYORRZRUMMGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-9-5-6-8-7(5)11(17)14(12(8)18)4-2-1-3-13(9)10(6)16/h5-8H,1-4H2.
What are the key properties of 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone?
5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone has a molecular weight of 248.24 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone is sourced from PubChem (CID 619094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).