4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine

C13H21NO2 — CID 143657662

IUPAC4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
SMILESCC1=CC(OCCN2CCOCC2)=CCC1
InChIInChI=1S/C13H21NO2/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14/h4,11H,2-3,5-10H2,1H3
InChIKeyNWEXCFXXJIBTKD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds4

About 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine

4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine (PubChem CID 143657662) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
PubChem CID143657662
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
SMILESCC1=CC(OCCN2CCOCC2)=CCC1
InChIInChI=1S/C13H21NO2/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14/h4,11H,2-3,5-10H2,1H3
InChIKeyNWEXCFXXJIBTKD-UHFFFAOYSA-N
XLogP1.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(5-methylcyclohexa-1,5-dien-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-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine (CID 143657662) is 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine is CC1=CC(OCCN2CCOCC2)=CCC1.
What is the InChIKey of 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The InChIKey is NWEXCFXXJIBTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12-3-2-4-13(11-12)16-10-7-14-5-8-15-9-6-14/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 143657662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).