2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide

C12H14N2O3 — CID 3241459

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C12H14N2O3/c1-13-8(15)5-14-11(16)9-6-2-3-7(4-6)10(9)12(14)17/h2-3,6-7,9-10H,4-5H2,1H3,(H,13,15)
InChIKeyJGCHIIWIPAJPHC-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.46
Rot. Bonds2

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide (PubChem CID 3241459) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
PubChem CID3241459
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C12H14N2O3/c1-13-8(15)5-14-11(16)9-6-2-3-7(4-6)10(9)12(14)17/h2-3,6-7,9-10H,4-5H2,1H3,(H,13,15)
InChIKeyJGCHIIWIPAJPHC-UHFFFAOYSA-N
XLogP-0.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide (CID 3241459) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide is CNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
The InChIKey is JGCHIIWIPAJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-8(15)5-14-11(16)9-6-2-3-7(4-6)10(9)12(14)17/h2-3,6-7,9-10H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide has a molecular weight of 234.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide is sourced from PubChem (CID 3241459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).