(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane

C5H9NO — CID 55298686

IUPAC(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
SMILESC1C[C@H]2N[C@H]2CO1
InChIInChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2/t4-,5+/m1/s1
InChIKeyDIUNZTQKLKGEBB-UHNVWZDZSA-N
MW99.13 g/mol
LogP-0.25
Rot. Bonds

About (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane

(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane (PubChem CID 55298686) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
PubChem CID55298686
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
SMILESC1C[C@H]2N[C@H]2CO1
InChIInChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2/t4-,5+/m1/s1
InChIKeyDIUNZTQKLKGEBB-UHNVWZDZSA-N
XLogP-0.25
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
CID 55300004
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 82418034
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
3-oxa-7-azabicyclo[4.1.1]octane
CID 118209795
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
CID 170905962
(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
CID 92794225
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
(1R,6S)-7-azabicyclo[4.1.0]heptane
CID 637980
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
(2R,4aR,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219310
(2R,4aS,8aS)-2-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine
CID 93219314

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane (CID 55298686) is (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane is C1C[C@H]2N[C@H]2CO1.
What is the InChIKey of (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane?
The InChIKey is DIUNZTQKLKGEBB-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane?
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane has a molecular weight of 99.13 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 55298686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).