(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol

C13H21NO2 — CID 71021099

IUPAC(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol
SMILESC[C@H]([C@@H](O)C1=CC=CCC1)N1CCOCC1
InChIInChI=1S/C13H21NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-3,5,11,13,15H,4,6-10H2,1H3/t11-,13-/m1/s1
InChIKeyYSCSDDGTYFIFJZ-DGCLKSJQSA-N
MW223.32 g/mol
LogP1.34
Rot. Bonds3

About (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol

(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol (PubChem CID 71021099) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol
PubChem CID71021099
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol
SMILESC[C@H]([C@@H](O)C1=CC=CCC1)N1CCOCC1
InChIInChI=1S/C13H21NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-3,5,11,13,15H,4,6-10H2,1H3/t11-,13-/m1/s1
InChIKeyYSCSDDGTYFIFJZ-DGCLKSJQSA-N
XLogP1.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol (CID 71021099) is (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol is C[C@H]([C@@H](O)C1=CC=CCC1)N1CCOCC1.
What is the InChIKey of (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol?
The InChIKey is YSCSDDGTYFIFJZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-3,5,11,13,15H,4,6-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol?
(1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexa-1,3-dien-1-yl-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 71021099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).