4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride

C14H20ClNO — CID 57402672

IUPAC4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15;/h2-7H,8-12H2,1H3;1H/b13-7+;
InChIKeyFRTBIMFPBICPEN-FTPOTTDRSA-N
MW253.77 g/mol
LogP2.84
Rot. Bonds3

About 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride

4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride (PubChem CID 57402672) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride
PubChem CID57402672
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15;/h2-7H,8-12H2,1H3;1H/b13-7+;
InChIKeyFRTBIMFPBICPEN-FTPOTTDRSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride (CID 57402672) is 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride is C/C(=C\CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride?
The InChIKey is FRTBIMFPBICPEN-FTPOTTDRSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15;/h2-7H,8-12H2,1H3;1H/b13-7+;.
What are the key properties of 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride?
4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 57402672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).