N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride

C9H15FN2O — CID 76820617

IUPACN-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride
SMILESCON=C(F)C1CN2CCC1CC2
InChIInChI=1S/C9H15FN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3
InChIKeyDNYJYFSXGOMRNZ-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.26
Rot. Bonds2

About N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride

N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride (PubChem CID 76820617) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride.

Molecular Properties

Compound NameN-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride
PubChem CID76820617
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride
SMILESCON=C(F)C1CN2CCC1CC2
InChIInChI=1S/C9H15FN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3
InChIKeyDNYJYFSXGOMRNZ-UHFFFAOYSA-N
XLogP1.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3E)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidate
CID 58575731
1-azabicyclo[2.2.2]octane;methyl 1-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
CID 172821222
N-methoxy-1-azabicyclo[2.2.1]heptane-3-carboximidoyl cyanide;oxalic acid
CID 173253753
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxyiminoacetonitrile
CID 73192825
1-azabicyclo[2.2.2]octane-3-carbohydrazide
CID 573413
3-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxopropanal
CID 19432884
2-O-[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-O-methyl oxalate;ethane
CID 142413084
1-azabicyclo[2.2.2]octan-3-yl-(4-methylphenyl)methanone chloride
CID 53312619
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158724020
1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 141361926
(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
CID 67402613
1-azabicyclo[2.2.2]octan-3-yloxy(trimethyl)silane
CID 524282

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride?
The IUPAC name of N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride (CID 76820617) is N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride.
What is the SMILES notation for N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride?
The canonical SMILES for N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride is CON=C(F)C1CN2CCC1CC2.
What is the InChIKey of N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride?
The InChIKey is DNYJYFSXGOMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3.
What are the key properties of N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride?
N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride has a molecular weight of 186.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl fluoride is sourced from PubChem (CID 76820617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).