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

C13H16ClNO — CID 6456085

IUPAC4-(3-phenylprop-2-ynyl)morpholine;hydrochloride
SMILESC(#Cc1ccccc1)CN1CCOCC1.Cl
InChIInChI=1S/C13H15NO.ClH/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;/h1-3,5-6H,8-12H2;1H
InChIKeyWPUKFIPKAUTYMA-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.79
Rot. Bonds1

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

4-(3-phenylprop-2-ynyl)morpholine;hydrochloride (PubChem CID 6456085) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(3-phenylprop-2-ynyl)morpholine;hydrochloride
PubChem CID6456085
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-(3-phenylprop-2-ynyl)morpholine;hydrochloride
SMILESC(#Cc1ccccc1)CN1CCOCC1.Cl
InChIInChI=1S/C13H15NO.ClH/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;/h1-3,5-6H,8-12H2;1H
InChIKeyWPUKFIPKAUTYMA-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.79
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;hydrochloride?
The IUPAC name of 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride (CID 6456085) is 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride?
The canonical SMILES for 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride is C(#Cc1ccccc1)CN1CCOCC1.Cl.
What is the InChIKey of 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride?
The InChIKey is WPUKFIPKAUTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.ClH/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;/h1-3,5-6H,8-12H2;1H.
What are the key properties of 4-(3-phenylprop-2-ynyl)morpholine;hydrochloride?
4-(3-phenylprop-2-ynyl)morpholine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 6456085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).