(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol

C13H23NO2 — CID 125453669

IUPAC(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
SMILESO[C@@H]1CC[C@@H]2C[C@@H]2CC[C@@H]1N1CCOCC1
InChIInChI=1S/C13H23NO2/c15-13-4-2-11-9-10(11)1-3-12(13)14-5-7-16-8-6-14/h10-13,15H,1-9H2/t10-,11+,12-,13+/m0/s1
InChIKeyNEBSZGYIFSALFP-QNWHQSFQSA-N
MW225.33 g/mol
LogP1.26
Rot. Bonds1

About (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol

(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol (PubChem CID 125453669) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol.

Molecular Properties

Compound Name(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
PubChem CID125453669
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
SMILESO[C@@H]1CC[C@@H]2C[C@@H]2CC[C@@H]1N1CCOCC1
InChIInChI=1S/C13H23NO2/c15-13-4-2-11-9-10(11)1-3-12(13)14-5-7-16-8-6-14/h10-13,15H,1-9H2/t10-,11+,12-,13+/m0/s1
InChIKeyNEBSZGYIFSALFP-QNWHQSFQSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4R,5R,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol
CID 125453670
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol
CID 155982556
(1R,2S,4R,5S)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 130891723
(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 12820066
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780
(1R,2R,5R)-2-amino-5-morpholin-4-ylcyclopentan-1-ol
CID 110128732
2-piperazin-1-ylcyclobutan-1-ol
CID 165486406
trans-(1R,2R)-2-morpholin-4-ylcyclobutan-1-amine
CID 130926079
4-(6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine
CID 4917615
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol?
The IUPAC name of (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol (CID 125453669) is (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol.
What is the SMILES notation for (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol?
The canonical SMILES for (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol is O[C@@H]1CC[C@@H]2C[C@@H]2CC[C@@H]1N1CCOCC1.
What is the InChIKey of (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol?
The InChIKey is NEBSZGYIFSALFP-QNWHQSFQSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13-4-2-11-9-10(11)1-3-12(13)14-5-7-16-8-6-14/h10-13,15H,1-9H2/t10-,11+,12-,13+/m0/s1.
What are the key properties of (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol?
(1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol has a molecular weight of 225.33 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,8S)-5-morpholin-4-ylbicyclo[6.1.0]nonan-4-ol is sourced from PubChem (CID 125453669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).