4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C11H17N3O3 — CID 3875204

IUPAC4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCOC1CC2C(=O)N3CCC(N)C3C(=O)N2C1
InChIInChI=1S/C11H17N3O3/c1-17-6-4-8-10(15)13-3-2-7(12)9(13)11(16)14(8)5-6/h6-9H,2-5,12H2,1H3
InChIKeyJBUSONUZDQWSGE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.46
Rot. Bonds1

About 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 3875204) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID3875204
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCOC1CC2C(=O)N3CCC(N)C3C(=O)N2C1
InChIInChI=1S/C11H17N3O3/c1-17-6-4-8-10(15)13-3-2-7(12)9(13)11(16)14(8)5-6/h6-9H,2-5,12H2,1H3
InChIKeyJBUSONUZDQWSGE-UHFFFAOYSA-N
XLogP-1.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 3875204) is 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is COC1CC2C(=O)N3CCC(N)C3C(=O)N2C1.
What is the InChIKey of 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is JBUSONUZDQWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-6-4-8-10(15)13-3-2-7(12)9(13)11(16)14(8)5-6/h6-9H,2-5,12H2,1H3.
What are the key properties of 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 239.27 g/mol, XLogP of -1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 3875204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).