4-(4-methoxyhexa-2,4-dien-3-yl)morpholine

C11H19NO2 — CID 90799986

IUPAC4-(4-methoxyhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(OC)C(=CC)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-10(11(5-2)13-3)12-6-8-14-9-7-12/h4-5H,6-9H2,1-3H3
InChIKeyFZFHXQTUNJQAKZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds3

About 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine

4-(4-methoxyhexa-2,4-dien-3-yl)morpholine (PubChem CID 90799986) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-methoxyhexa-2,4-dien-3-yl)morpholine
PubChem CID90799986
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(4-methoxyhexa-2,4-dien-3-yl)morpholine
SMILESCC=C(OC)C(=CC)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-10(11(5-2)13-3)12-6-8-14-9-7-12/h4-5H,6-9H2,1-3H3
InChIKeyFZFHXQTUNJQAKZ-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine?
The IUPAC name of 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine (CID 90799986) is 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine.
What is the SMILES notation for 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine?
The canonical SMILES for 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine is CC=C(OC)C(=CC)N1CCOCC1.
What is the InChIKey of 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine?
The InChIKey is FZFHXQTUNJQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10(11(5-2)13-3)12-6-8-14-9-7-12/h4-5H,6-9H2,1-3H3.
What are the key properties of 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine?
4-(4-methoxyhexa-2,4-dien-3-yl)morpholine has a molecular weight of 197.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyhexa-2,4-dien-3-yl)morpholine is sourced from PubChem (CID 90799986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).