3-morpholin-4-ylcyclohexa-1,3-dien-1-ol

C10H15NO2 — CID 90443893

IUPAC3-morpholin-4-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C10H15NO2/c12-10-3-1-2-9(8-10)11-4-6-13-7-5-11/h2,8,12H,1,3-7H2
InChIKeyLOQWOVSNKUJQHF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.44
Rot. Bonds1

About 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol

3-morpholin-4-ylcyclohexa-1,3-dien-1-ol (PubChem CID 90443893) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-morpholin-4-ylcyclohexa-1,3-dien-1-ol
PubChem CID90443893
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-morpholin-4-ylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C10H15NO2/c12-10-3-1-2-9(8-10)11-4-6-13-7-5-11/h2,8,12H,1,3-7H2
InChIKeyLOQWOVSNKUJQHF-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol (CID 90443893) is 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol is OC1=CC(N2CCOCC2)=CCC1.
What is the InChIKey of 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is LOQWOVSNKUJQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-3-1-2-9(8-10)11-4-6-13-7-5-11/h2,8,12H,1,3-7H2.
What are the key properties of 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol?
3-morpholin-4-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 90443893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).