4-(1,3-diphenylprop-2-ynyl)morpholine

C19H19NO — CID 3773039

IUPAC4-(1,3-diphenylprop-2-ynyl)morpholine
SMILESC(#CC(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10,19H,13-16H2
InChIKeyRJNDDABDYIZJQS-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.11
Rot. Bonds2

About 4-(1,3-diphenylprop-2-ynyl)morpholine

4-(1,3-diphenylprop-2-ynyl)morpholine (PubChem CID 3773039) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(1,3-diphenylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1,3-diphenylprop-2-ynyl)morpholine
PubChem CID3773039
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(1,3-diphenylprop-2-ynyl)morpholine
SMILESC(#CC(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10,19H,13-16H2
InChIKeyRJNDDABDYIZJQS-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.11
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-(1,3-diphenylprop-2-ynyl)morpholine?
The IUPAC name of 4-(1,3-diphenylprop-2-ynyl)morpholine (CID 3773039) is 4-(1,3-diphenylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(1,3-diphenylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(1,3-diphenylprop-2-ynyl)morpholine is C(#CC(c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(1,3-diphenylprop-2-ynyl)morpholine?
The InChIKey is RJNDDABDYIZJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h1-10,19H,13-16H2.
What are the key properties of 4-(1,3-diphenylprop-2-ynyl)morpholine?
4-(1,3-diphenylprop-2-ynyl)morpholine has a molecular weight of 277.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diphenylprop-2-ynyl)morpholine is sourced from PubChem (CID 3773039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).