3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol

C11H15NO3 — CID 139646449

IUPAC3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CC(=CN2CCOCC2)C(O)C=C1
InChIInChI=1S/C11H15NO3/c13-10-1-2-11(14)9(7-10)8-12-3-5-15-6-4-12/h1-2,7-8,11,13-14H,3-6H2
InChIKeyCQVUJXIQIIFKOA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.58
Rot. Bonds1

About 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol

3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol (PubChem CID 139646449) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol
PubChem CID139646449
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CC(=CN2CCOCC2)C(O)C=C1
InChIInChI=1S/C11H15NO3/c13-10-1-2-11(14)9(7-10)8-12-3-5-15-6-4-12/h1-2,7-8,11,13-14H,3-6H2
InChIKeyCQVUJXIQIIFKOA-UHFFFAOYSA-N
XLogP0.58
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol (CID 139646449) is 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol is OC1=CC(=CN2CCOCC2)C(O)C=C1.
What is the InChIKey of 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is CQVUJXIQIIFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10-1-2-11(14)9(7-10)8-12-3-5-15-6-4-12/h1-2,7-8,11,13-14H,3-6H2.
What are the key properties of 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol?
3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 209.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethylidene)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 139646449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).