3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane

C13H23NO — CID 143862286

IUPAC3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane
SMILESCC.CN1CCOCC1C1=CCCC=C1
InChIInChI=1S/C11H17NO.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3
InChIKeyRLTHAVYOUIEDLA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane

3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane (PubChem CID 143862286) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane
PubChem CID143862286
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane
SMILESCC.CN1CCOCC1C1=CCCC=C1
InChIInChI=1S/C11H17NO.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3
InChIKeyRLTHAVYOUIEDLA-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane (CID 143862286) is 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane is CC.CN1CCOCC1C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane?
The InChIKey is RLTHAVYOUIEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane?
3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane has a molecular weight of 209.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-4-methylmorpholine;ethane is sourced from PubChem (CID 143862286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).