4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine

C11H17NO2 — CID 12664081

IUPAC4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine
SMILESCOC1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C11H17NO2/c1-13-11-4-2-3-10(9-11)12-5-7-14-8-6-12/h3,9H,2,4-8H2,1H3
InChIKeyFGXSIIOJCMRCQU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.53
Rot. Bonds2

About 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine

4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 12664081) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine
PubChem CID12664081
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine
SMILESCOC1=CC(N2CCOCC2)=CCC1
InChIInChI=1S/C11H17NO2/c1-13-11-4-2-3-10(9-11)12-5-7-14-8-6-12/h3,9H,2,4-8H2,1H3
InChIKeyFGXSIIOJCMRCQU-UHFFFAOYSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-methoxycyclohexa-1,5-dien-1-yl)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-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine (CID 12664081) is 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine is COC1=CC(N2CCOCC2)=CCC1.
What is the InChIKey of 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is FGXSIIOJCMRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-11-4-2-3-10(9-11)12-5-7-14-8-6-12/h3,9H,2,4-8H2,1H3.
What are the key properties of 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine?
4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 195.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxycyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 12664081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).