2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide

C12H13N3O2 — CID 143201162

IUPAC2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
SMILESNC(=O)CN1CC2CC(=O)Nc3cccc1c32
InChIInChI=1S/C12H13N3O2/c13-10(16)6-15-5-7-4-11(17)14-8-2-1-3-9(15)12(7)8/h1-3,7H,4-6H2,(H2,13,16)(H,14,17)
InChIKeyWPVNLIGDCFVAPK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.42
Rot. Bonds2

About 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide

2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide (PubChem CID 143201162) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
PubChem CID143201162
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
SMILESNC(=O)CN1CC2CC(=O)Nc3cccc1c32
InChIInChI=1S/C12H13N3O2/c13-10(16)6-15-5-7-4-11(17)14-8-2-1-3-9(15)12(7)8/h1-3,7H,4-6H2,(H2,13,16)(H,14,17)
InChIKeyWPVNLIGDCFVAPK-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The IUPAC name of 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide (CID 143201162) is 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide.
What is the SMILES notation for 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The canonical SMILES for 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide is NC(=O)CN1CC2CC(=O)Nc3cccc1c32.
What is the InChIKey of 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The InChIKey is WPVNLIGDCFVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10(16)6-15-5-7-4-11(17)14-8-2-1-3-9(15)12(7)8/h1-3,7H,4-6H2,(H2,13,16)(H,14,17).
What are the key properties of 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide is sourced from PubChem (CID 143201162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).