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

C18H22ClNO — CID 57393937

IUPAC4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17;/h2-8,14H,9-13H2,1H3;1H/b15-8+;
InChIKeyREUJDNWDQHYFGS-TWNLEINFSA-N
MW303.83 g/mol
LogP4.00
Rot. Bonds3

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

4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride (PubChem CID 57393937) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride
PubChem CID57393937
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride
SMILESC/C(=C\CN1CCOCC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17;/h2-8,14H,9-13H2,1H3;1H/b15-8+;
InChIKeyREUJDNWDQHYFGS-TWNLEINFSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride (CID 57393937) is 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride is C/C(=C\CN1CCOCC1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride?
The InChIKey is REUJDNWDQHYFGS-TWNLEINFSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17;/h2-8,14H,9-13H2,1H3;1H/b15-8+;.
What are the key properties of 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride?
4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-naphthalen-2-ylbut-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 57393937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).