(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide

C9H14N2O — CID 67797056

IUPAC(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide
SMILESNC(=O)/C=C1\CN2CCC1CC2
InChIInChI=1S/C9H14N2O/c10-9(12)5-8-6-11-3-1-7(8)2-4-11/h5,7H,1-4,6H2,(H2,10,12)/b8-5+
InChIKeyRNQXDQBZVAMIRV-VMPITWQZSA-N
MW166.22 g/mol
LogP0.12
Rot. Bonds1

About (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide

(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide (PubChem CID 67797056) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide
PubChem CID67797056
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide
SMILESNC(=O)/C=C1\CN2CCC1CC2
InChIInChI=1S/C9H14N2O/c10-9(12)5-8-6-11-3-1-7(8)2-4-11/h5,7H,1-4,6H2,(H2,10,12)/b8-5+
InChIKeyRNQXDQBZVAMIRV-VMPITWQZSA-N
XLogP0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide?
The IUPAC name of (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide (CID 67797056) is (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide?
The canonical SMILES for (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide is NC(=O)/C=C1\CN2CCC1CC2.
What is the InChIKey of (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide?
The InChIKey is RNQXDQBZVAMIRV-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(12)5-8-6-11-3-1-7(8)2-4-11/h5,7H,1-4,6H2,(H2,10,12)/b8-5+.
What are the key properties of (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide?
(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide has a molecular weight of 166.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)acetamide is sourced from PubChem (CID 67797056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).