4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine

C15H23NO2 — CID 143655629

IUPAC4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine
SMILESCCC1=CCC=C(OCCN2CCOCC2)C=C1
InChIInChI=1S/C15H23NO2/c1-2-14-4-3-5-15(7-6-14)18-13-10-16-8-11-17-12-9-16/h4-7H,2-3,8-13H2,1H3
InChIKeyGTTROXWKJWDOHR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine

4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine (PubChem CID 143655629) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine
PubChem CID143655629
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine
SMILESCCC1=CCC=C(OCCN2CCOCC2)C=C1
InChIInChI=1S/C15H23NO2/c1-2-14-4-3-5-15(7-6-14)18-13-10-16-8-11-17-12-9-16/h4-7H,2-3,8-13H2,1H3
InChIKeyGTTROXWKJWDOHR-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine (CID 143655629) is 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine is CCC1=CCC=C(OCCN2CCOCC2)C=C1.
What is the InChIKey of 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine?
The InChIKey is GTTROXWKJWDOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-14-4-3-5-15(7-6-14)18-13-10-16-8-11-17-12-9-16/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine?
4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethylcyclohepta-1,4,6-trien-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 143655629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).