2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide

C9H14N2O — CID 19101391

IUPAC2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC2C=CC1C2
InChIInChI=1S/C9H14N2O/c1-10-9(12)6-11-5-7-2-3-8(11)4-7/h2-3,7-8H,4-6H2,1H3,(H,10,12)
InChIKeyQXVZTSNUIOBFGY-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.01
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide

2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide (PubChem CID 19101391) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide
PubChem CID19101391
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC2C=CC1C2
InChIInChI=1S/C9H14N2O/c1-10-9(12)6-11-5-7-2-3-8(11)4-7/h2-3,7-8H,4-6H2,1H3,(H,10,12)
InChIKeyQXVZTSNUIOBFGY-UHFFFAOYSA-N
XLogP-0.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide (CID 19101391) is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide is CNC(=O)CN1CC2C=CC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide?
The InChIKey is QXVZTSNUIOBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-10-9(12)6-11-5-7-2-3-8(11)4-7/h2-3,7-8H,4-6H2,1H3,(H,10,12).
What are the key properties of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide?
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide has a molecular weight of 166.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-N-methylacetamide is sourced from PubChem (CID 19101391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).