N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

C13H14N2O2 — CID 7384440

IUPACN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESCC(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C13H14N2O2/c1-8(16)14-11-5-9-3-2-4-15-12(17)7-10(6-11)13(9)15/h5-6H,2-4,7H2,1H3,(H,14,16)
InChIKeyNAEQZRHWOQFHAO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds1

About N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (PubChem CID 7384440) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
PubChem CID7384440
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESCC(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C13H14N2O2/c1-8(16)14-11-5-9-3-2-4-15-12(17)7-10(6-11)13(9)15/h5-6H,2-4,7H2,1H3,(H,14,16)
InChIKeyNAEQZRHWOQFHAO-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (CID 7384440) is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is CC(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The InChIKey is NAEQZRHWOQFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(16)14-11-5-9-3-2-4-15-12(17)7-10(6-11)13(9)15/h5-6H,2-4,7H2,1H3,(H,14,16).
What are the key properties of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is sourced from PubChem (CID 7384440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).