(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane

C7H12N2O — CID 155007795

IUPAC(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane
SMILESC1NCC1N1[C@H]2CO[C@@H]1C2
InChIInChI=1S/C7H12N2O/c1-5-4-10-7(1)9(5)6-2-8-3-6/h5-8H,1-4H2/t5-,7-/m1/s1
InChIKeyNJXLWYFYLXCBJM-IYSWYEEDSA-N
MW140.19 g/mol
LogP-0.61
Rot. Bonds1

About (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane

(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane (PubChem CID 155007795) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane
PubChem CID155007795
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane
SMILESC1NCC1N1[C@H]2CO[C@@H]1C2
InChIInChI=1S/C7H12N2O/c1-5-4-10-7(1)9(5)6-2-8-3-6/h5-8H,1-4H2/t5-,7-/m1/s1
InChIKeyNJXLWYFYLXCBJM-IYSWYEEDSA-N
XLogP-0.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
CID 123969687
(5S)-6-(3-methyloxiran-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 146275623
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 67212442
3,6-diazabicyclo[3.1.1]heptane-6-carboxylic acid
CID 142316652
3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
CID 89273584
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
3,9-diazabicyclo[3.3.1]nonan-9-amine
CID 155383691
(5R)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 155120899
(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 137403102
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane
CID 121372028

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane?
The IUPAC name of (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane (CID 155007795) is (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane is C1NCC1N1[C@H]2CO[C@@H]1C2.
What is the InChIKey of (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane?
The InChIKey is NJXLWYFYLXCBJM-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-10-7(1)9(5)6-2-8-3-6/h5-8H,1-4H2/t5-,7-/m1/s1.
What are the key properties of (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane?
(1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane has a molecular weight of 140.19 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-(azetidin-3-yl)-2-oxa-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 155007795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).