N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C12H20N2O — CID 74450951

IUPACN-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESC=CC1CN2CCC1CC2CNC(C)=O
InChIInChI=1S/C12H20N2O/c1-3-10-8-14-5-4-11(10)6-12(14)7-13-9(2)15/h3,10-12H,1,4-8H2,2H3,(H,13,15)
InChIKeyQKQVHUWVRAPPGY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.02
Rot. Bonds3

About N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 74450951) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID74450951
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESC=CC1CN2CCC1CC2CNC(C)=O
InChIInChI=1S/C12H20N2O/c1-3-10-8-14-5-4-11(10)6-12(14)7-13-9(2)15/h3,10-12H,1,4-8H2,2H3,(H,13,15)
InChIKeyQKQVHUWVRAPPGY-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.02
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 N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 74450951) is N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is C=CC1CN2CCC1CC2CNC(C)=O.
What is the InChIKey of N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is QKQVHUWVRAPPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-10-8-14-5-4-11(10)6-12(14)7-13-9(2)15/h3,10-12H,1,4-8H2,2H3,(H,13,15).
What are the key properties of N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 74450951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).