N-(1-azabicyclo[2.2.2]octan-3-yl)formamide

C8H14N2O — CID 20760141

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)formamide
SMILESO=CNC1CN2CCC1CC2
InChIInChI=1S/C8H14N2O/c11-6-9-8-5-10-3-1-7(8)2-4-10/h6-8H,1-5H2,(H,9,11)
InChIKeyHBCSLZXVQIRVKW-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.17
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)formamide

N-(1-azabicyclo[2.2.2]octan-3-yl)formamide (PubChem CID 20760141) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)formamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)formamide
PubChem CID20760141
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)formamide
SMILESO=CNC1CN2CCC1CC2
InChIInChI=1S/C8H14N2O/c11-6-9-8-5-10-3-1-7(8)2-4-10/h6-8H,1-5H2,(H,9,11)
InChIKeyHBCSLZXVQIRVKW-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)formamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)formamide (CID 20760141) is N-(1-azabicyclo[2.2.2]octan-3-yl)formamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)formamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)formamide is O=CNC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)formamide?
The InChIKey is HBCSLZXVQIRVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-6-9-8-5-10-3-1-7(8)2-4-10/h6-8H,1-5H2,(H,9,11).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)formamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)formamide has a molecular weight of 154.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)formamide is sourced from PubChem (CID 20760141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).