(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol

C9H15NO3 — CID 12820066

IUPAC(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
SMILESO[C@@H]1C[C@H](N2CCOCC2)[C@H]2O[C@H]21
InChIInChI=1S/C9H15NO3/c11-7-5-6(8-9(7)13-8)10-1-3-12-4-2-10/h6-9,11H,1-5H2/t6-,7+,8+,9-/m0/s1
InChIKeyGXQOBIGPGOCYTN-KDXUFGMBSA-N
MW185.22 g/mol
LogP-0.78
Rot. Bonds1

About (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol

(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol (PubChem CID 12820066) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
PubChem CID12820066
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
SMILESO[C@@H]1C[C@H](N2CCOCC2)[C@H]2O[C@H]21
InChIInChI=1S/C9H15NO3/c11-7-5-6(8-9(7)13-8)10-1-3-12-4-2-10/h6-9,11H,1-5H2/t6-,7+,8+,9-/m0/s1
InChIKeyGXQOBIGPGOCYTN-KDXUFGMBSA-N
XLogP-0.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol with MolForge

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Related Compounds

(1R,2S,4R,5S)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 130891723
(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780
(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
CID 125453669
(1R,4R,5R,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
CID 125453670
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
2-morpholin-4-ylcyclopropane-1-carboxylic acid
CID 117029758
2-methoxy-6-methyl-4-morpholin-4-yloxan-3-ol
CID 143438871
(1R,2R,5R)-2-amino-5-morpholin-4-ylcyclopentan-1-ol
CID 110128732
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256
(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol
CID 155982556
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol (CID 12820066) is (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol is O[C@@H]1C[C@H](N2CCOCC2)[C@H]2O[C@H]21.
What is the InChIKey of (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol?
The InChIKey is GXQOBIGPGOCYTN-KDXUFGMBSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-5-6(8-9(7)13-8)10-1-3-12-4-2-10/h6-9,11H,1-5H2/t6-,7+,8+,9-/m0/s1.
What are the key properties of (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol?
(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol has a molecular weight of 185.22 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 12820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).