4-(3-phenylprop-2-ynyl)morpholine

C13H15NO — CID 776254

IUPAC4-(3-phenylprop-2-ynyl)morpholine
SMILESC(#Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H15NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,8-12H2
InChIKeyHYRDQBVNOSFELY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.37
Rot. Bonds1

About 4-(3-phenylprop-2-ynyl)morpholine

4-(3-phenylprop-2-ynyl)morpholine (PubChem CID 776254) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(3-phenylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(3-phenylprop-2-ynyl)morpholine
PubChem CID776254
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(3-phenylprop-2-ynyl)morpholine
SMILESC(#Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H15NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,8-12H2
InChIKeyHYRDQBVNOSFELY-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylprop-2-ynyl)morpholine?
The IUPAC name of 4-(3-phenylprop-2-ynyl)morpholine (CID 776254) is 4-(3-phenylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(3-phenylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(3-phenylprop-2-ynyl)morpholine is C(#Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of 4-(3-phenylprop-2-ynyl)morpholine?
The InChIKey is HYRDQBVNOSFELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,8-12H2.
What are the key properties of 4-(3-phenylprop-2-ynyl)morpholine?
4-(3-phenylprop-2-ynyl)morpholine has a molecular weight of 201.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-ynyl)morpholine is sourced from PubChem (CID 776254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).