(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine

C10H15NO — CID 143659406

IUPAC(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine
SMILESC1=CC([C@H]2CNCCO2)=CCC1
InChIInChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h2,4-5,10-11H,1,3,6-8H2/t10-/m1/s1
InChIKeyHUPIYDFEOOSZMP-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.25
Rot. Bonds1

About (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine

(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine (PubChem CID 143659406) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine
PubChem CID143659406
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine
SMILESC1=CC([C@H]2CNCCO2)=CCC1
InChIInChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h2,4-5,10-11H,1,3,6-8H2/t10-/m1/s1
InChIKeyHUPIYDFEOOSZMP-SNVBAGLBSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine?
The IUPAC name of (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine (CID 143659406) is (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine.
What is the SMILES notation for (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine?
The canonical SMILES for (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine is C1=CC([C@H]2CNCCO2)=CCC1.
What is the InChIKey of (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine?
The InChIKey is HUPIYDFEOOSZMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h2,4-5,10-11H,1,3,6-8H2/t10-/m1/s1.
What are the key properties of (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine?
(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine has a molecular weight of 165.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexa-1,5-dien-1-ylmorpholine is sourced from PubChem (CID 143659406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).