(3R)-3-nitroso-1-azabicyclo[2.2.2]octane

C7H12N2O — CID 122592122

IUPAC(3R)-3-nitroso-1-azabicyclo[2.2.2]octane
SMILESO=N[C@H]1CN2CCC1CC2
InChIInChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2/t7-/m0/s1
InChIKeyMZSRHXKMMDFDKK-ZETCQYMHSA-N
MW140.19 g/mol
LogP0.85
Rot. Bonds1

About (3R)-3-nitroso-1-azabicyclo[2.2.2]octane

(3R)-3-nitroso-1-azabicyclo[2.2.2]octane (PubChem CID 122592122) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3R)-3-nitroso-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-nitroso-1-azabicyclo[2.2.2]octane
PubChem CID122592122
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3R)-3-nitroso-1-azabicyclo[2.2.2]octane
SMILESO=N[C@H]1CN2CCC1CC2
InChIInChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2/t7-/m0/s1
InChIKeyMZSRHXKMMDFDKK-ZETCQYMHSA-N
XLogP0.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-nitroso-1-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azido-1-azabicyclo[2.2.2]octane
CID 19610895
(3R)-3-bromo-1-azabicyclo[2.2.2]octane
CID 51885065
(3S,4R)-1-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 93499420
1-azabicyclo[3.2.1]octan-4-ylhydrazine
CID 105365386
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158724020
1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 141361926
N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
3-ethynyl-1-azabicyclo[2.2.2]octane
CID 20568211
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 hydrogen carbonate
CID 68769471
3-(1,2-dibromoethyl)-1-azabicyclo[2.2.2]octane
CID 71334492

Frequently Asked Questions

What is the IUPAC name of (3R)-3-nitroso-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-nitroso-1-azabicyclo[2.2.2]octane (CID 122592122) is (3R)-3-nitroso-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-nitroso-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-nitroso-1-azabicyclo[2.2.2]octane is O=N[C@H]1CN2CCC1CC2.
What is the InChIKey of (3R)-3-nitroso-1-azabicyclo[2.2.2]octane?
The InChIKey is MZSRHXKMMDFDKK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2/t7-/m0/s1.
What are the key properties of (3R)-3-nitroso-1-azabicyclo[2.2.2]octane?
(3R)-3-nitroso-1-azabicyclo[2.2.2]octane has a molecular weight of 140.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-nitroso-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 122592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).