(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine

C11H21NO2 — CID 67599686

IUPAC(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine
SMILESCC/C=C1\CN(CCCOC)CCO1
InChIInChI=1S/C11H21NO2/c1-3-5-11-10-12(7-9-14-11)6-4-8-13-2/h5H,3-4,6-10H2,1-2H3/b11-5+
InChIKeyYIPAWPNILYAOAX-VZUCSPMQSA-N
MW199.29 g/mol
LogP1.65
Rot. Bonds5

About (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine

(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine (PubChem CID 67599686) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine.

Molecular Properties

Compound Name(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine
PubChem CID67599686
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine
SMILESCC/C=C1\CN(CCCOC)CCO1
InChIInChI=1S/C11H21NO2/c1-3-5-11-10-12(7-9-14-11)6-4-8-13-2/h5H,3-4,6-10H2,1-2H3/b11-5+
InChIKeyYIPAWPNILYAOAX-VZUCSPMQSA-N
XLogP1.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine?
The IUPAC name of (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine (CID 67599686) is (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine.
What is the SMILES notation for (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine?
The canonical SMILES for (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine is CC/C=C1\CN(CCCOC)CCO1.
What is the InChIKey of (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine?
The InChIKey is YIPAWPNILYAOAX-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-11-10-12(7-9-14-11)6-4-8-13-2/h5H,3-4,6-10H2,1-2H3/b11-5+.
What are the key properties of (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine?
(2E)-4-(3-methoxypropyl)-2-propylidenemorpholine has a molecular weight of 199.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(3-methoxypropyl)-2-propylidenemorpholine is sourced from PubChem (CID 67599686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).