4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine

C11H17NO — CID 19738009

IUPAC4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine
SMILESC1=CC(CN2CCOCC2)=CCC1
InChIInChI=1S/C11H17NO/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h2,4-5H,1,3,6-10H2
InChIKeyYOIUFKLMXLKRAZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.60
Rot. Bonds2

About 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine

4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine (PubChem CID 19738009) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine
PubChem CID19738009
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine
SMILESC1=CC(CN2CCOCC2)=CCC1
InChIInChI=1S/C11H17NO/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h2,4-5H,1,3,6-10H2
InChIKeyYOIUFKLMXLKRAZ-UHFFFAOYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine (CID 19738009) is 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine is C1=CC(CN2CCOCC2)=CCC1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine?
The InChIKey is YOIUFKLMXLKRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h2,4-5H,1,3,6-10H2.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine?
4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine has a molecular weight of 179.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine is sourced from PubChem (CID 19738009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).