4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine

C12H19NO2 — CID 11287262

IUPAC4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine
SMILESCC(C)=COCC#CCN1CCOCC1
InChIInChI=1S/C12H19NO2/c1-12(2)11-15-8-4-3-5-13-6-9-14-10-7-13/h11H,5-10H2,1-2H3
InChIKeyYWXVWAWIOSKPSX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds3

About 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine

4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine (PubChem CID 11287262) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine
PubChem CID11287262
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine
SMILESCC(C)=COCC#CCN1CCOCC1
InChIInChI=1S/C12H19NO2/c1-12(2)11-15-8-4-3-5-13-6-9-14-10-7-13/h11H,5-10H2,1-2H3
InChIKeyYWXVWAWIOSKPSX-UHFFFAOYSA-N
XLogP1.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine?
The IUPAC name of 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine (CID 11287262) is 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine.
What is the SMILES notation for 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine?
The canonical SMILES for 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine is CC(C)=COCC#CCN1CCOCC1.
What is the InChIKey of 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine?
The InChIKey is YWXVWAWIOSKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)11-15-8-4-3-5-13-6-9-14-10-7-13/h11H,5-10H2,1-2H3.
What are the key properties of 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine?
4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine has a molecular weight of 209.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylprop-1-enoxy)but-2-ynyl]morpholine is sourced from PubChem (CID 11287262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).