3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol

C11H17NO2 — CID 174762674

IUPAC3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N1CCOCC1
InChIInChI=1S/C11H17NO2/c1-9-8-10(13)2-3-11(9)12-4-6-14-7-5-12/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyIKGRRDJCLOJZEH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds1

About 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol

3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol (PubChem CID 174762674) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol
PubChem CID174762674
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N1CCOCC1
InChIInChI=1S/C11H17NO2/c1-9-8-10(13)2-3-11(9)12-4-6-14-7-5-12/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyIKGRRDJCLOJZEH-UHFFFAOYSA-N
XLogP1.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol (CID 174762674) is 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C=CC1N1CCOCC1.
What is the InChIKey of 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is IKGRRDJCLOJZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-8-10(13)2-3-11(9)12-4-6-14-7-5-12/h2-3,8-9,11,13H,4-7H2,1H3.
What are the key properties of 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol?
3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 174762674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).