2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione

C10H14N6O4 — CID 56690032

IUPAC2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESCC(=O)N1C2NC(=O)NC2N(C(C)=O)C2NC(=O)NC21
InChIInChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20)
InChIKeyICTSIWFUTMWKPE-UHFFFAOYSA-N
MW282.26 g/mol
LogP-2.37
Rot. Bonds

About 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione

2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione (PubChem CID 56690032) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione.

Molecular Properties

Compound Name2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
PubChem CID56690032
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
SMILESCC(=O)N1C2NC(=O)NC2N(C(C)=O)C2NC(=O)NC21
InChIInChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20)
InChIKeyICTSIWFUTMWKPE-UHFFFAOYSA-N
XLogP-2.37
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The IUPAC name of 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione (CID 56690032) is 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione.
What is the SMILES notation for 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The canonical SMILES for 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is CC(=O)N1C2NC(=O)NC2N(C(C)=O)C2NC(=O)NC21.
What is the InChIKey of 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
The InChIKey is ICTSIWFUTMWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c1-3(17)15-5-7(13-9(19)11-5)16(4(2)18)8-6(15)12-10(20)14-8/h5-8H,1-2H3,(H2,11,13,19)(H2,12,14,20).
What are the key properties of 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione?
2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione has a molecular weight of 282.26 g/mol, XLogP of -2.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione is sourced from PubChem (CID 56690032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).