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

C12H19NO2 — CID 12570837

IUPAC4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C2OC2(C)C1
InChIInChI=1S/C12H19NO2/c1-9-7-10(11-12(2,8-9)15-11)13-3-5-14-6-4-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyDRRDHRNSNJDXAR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.40
Rot. Bonds1

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

4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine (PubChem CID 12570837) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
PubChem CID12570837
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C2OC2(C)C1
InChIInChI=1S/C12H19NO2/c1-9-7-10(11-12(2,8-9)15-11)13-3-5-14-6-4-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyDRRDHRNSNJDXAR-UHFFFAOYSA-N
XLogP1.40
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.40
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-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The IUPAC name of 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine (CID 12570837) is 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine.
What is the SMILES notation for 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The canonical SMILES for 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine is CC1C=C(N2CCOCC2)C2OC2(C)C1.
What is the InChIKey of 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
The InChIKey is DRRDHRNSNJDXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-10(11-12(2,8-9)15-11)13-3-5-14-6-4-13/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine?
4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine has a molecular weight of 209.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine is sourced from PubChem (CID 12570837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).