7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane

C4H9N2O+ — CID 177322110

IUPAC7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane
SMILESC1[NH2+]C2CNC1O2
InChIInChI=1S/C4H8N2O/c1-3-6-2-4(5-1)7-3/h3-6H,1-2H2/p+1
InChIKeyHYFZMWBJBIDHGN-UHFFFAOYSA-O
MW101.13 g/mol
LogP-2.16
Rot. Bonds

About 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane

7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane (PubChem CID 177322110) has the molecular formula C4H9N2O+ and a molecular weight of 101.13 g/mol. Its IUPAC name is 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane
PubChem CID177322110
Molecular FormulaC4H9N2O+
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane
SMILESC1[NH2+]C2CNC1O2
InChIInChI=1S/C4H8N2O/c1-3-6-2-4(5-1)7-3/h3-6H,1-2H2/p+1
InChIKeyHYFZMWBJBIDHGN-UHFFFAOYSA-O
XLogP-2.16
TPSA37.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane 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

(2S)-2-iodoaziridine
CID 89376361
7-oxa-2-azabicyclo[2.2.1]heptane
CID 90981681
(1S,4R)-7-oxa-2-azabicyclo[2.2.1]heptane
CID 159447161
(2R)-2-[(E)-2-[(2R)-aziridin-2-yl]ethenyl]aziridine
CID 55299822
1,3-diiodocyclobutane
CID 522914
3-iodopyrrolidine;hydrochloride
CID 66569499
5-tert-butyl-2-methylmorpholine
CID 82280213
2-iodo-1,3-diazinane
CID 70615752
6-iodo-3-azabicyclo[3.1.0]hexane
CID 130360842
(2R,5S)-2,5-dimethylmorpholine
CID 641780
(3S)-3-iodomorpholine
CID 89004392
(2R,4S)-4-iodo-2-methylpiperidine
CID 156844978

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane?
The IUPAC name of 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane (CID 177322110) is 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane?
The canonical SMILES for 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane is C1[NH2+]C2CNC1O2.
What is the InChIKey of 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane?
The InChIKey is HYFZMWBJBIDHGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N2O/c1-3-6-2-4(5-1)7-3/h3-6H,1-2H2/p+1.
What are the key properties of 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane?
7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane has a molecular weight of 101.13 g/mol, XLogP of -2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-aza-5-azoniabicyclo[2.2.1]heptane is sourced from PubChem (CID 177322110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).