4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium

C15H18NO+ — CID 3507481

IUPAC4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium
SMILESC=CC(C#Cc1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C15H17NO/c1-2-15(16-10-12-17-13-11-16)9-8-14-6-4-3-5-7-14/h2-7,15H,1,10-13H2/p+1
InChIKeyGOLIPIJLARQEPL-UHFFFAOYSA-O
MW228.31 g/mol
LogP0.51
Rot. Bonds2

About 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium

4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium (PubChem CID 3507481) has the molecular formula C15H18NO+ and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium.

Molecular Properties

Compound Name4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium
PubChem CID3507481
Molecular FormulaC15H18NO+
Molecular Weight228.31 g/mol
Exact Mass228.14
IUPAC Name4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium
SMILESC=CC(C#Cc1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C15H17NO/c1-2-15(16-10-12-17-13-11-16)9-8-14-6-4-3-5-7-14/h2-7,15H,1,10-13H2/p+1
InChIKeyGOLIPIJLARQEPL-UHFFFAOYSA-O
XLogP0.51
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium?
The IUPAC name of 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium (CID 3507481) is 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium.
What is the SMILES notation for 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium?
The canonical SMILES for 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium is C=CC(C#Cc1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium?
The InChIKey is GOLIPIJLARQEPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NO/c1-2-15(16-10-12-17-13-11-16)9-8-14-6-4-3-5-7-14/h2-7,15H,1,10-13H2/p+1.
What are the key properties of 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium?
4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium has a molecular weight of 228.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpent-1-en-4-yn-3-yl)morpholin-4-ium is sourced from PubChem (CID 3507481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).