4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine

C13H21NO2 — CID 610274

IUPAC4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
SMILESCC1(C)C=C(N2CCOCC2)C2OC2(C)C1
InChIInChI=1S/C13H21NO2/c1-12(2)8-10(11-13(3,9-12)16-11)14-4-6-15-7-5-14/h8,11H,4-7,9H2,1-3H3
InChIKeyYAPFVXXELFWHBT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds1

About 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine

4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine (PubChem CID 610274) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
PubChem CID610274
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
SMILESCC1(C)C=C(N2CCOCC2)C2OC2(C)C1
InChIInChI=1S/C13H21NO2/c1-12(2)8-10(11-13(3,9-12)16-11)14-4-6-15-7-5-14/h8,11H,4-7,9H2,1-3H3
InChIKeyYAPFVXXELFWHBT-UHFFFAOYSA-N
XLogP1.79
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The IUPAC name of 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine (CID 610274) is 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine.
What is the SMILES notation for 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The canonical SMILES for 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine is CC1(C)C=C(N2CCOCC2)C2OC2(C)C1.
What is the InChIKey of 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The InChIKey is YAPFVXXELFWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2)8-10(11-13(3,9-12)16-11)14-4-6-15-7-5-14/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine is sourced from PubChem (CID 610274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).