4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine

C16H22N2O — CID 142417025

IUPAC4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine
SMILESC(=C/c1cccc2c1CCNC2)\CN1CCOCC1
InChIInChI=1S/C16H22N2O/c1-3-14(16-6-7-17-13-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1-5,17H,6-13H2/b5-2+
InChIKeyXDDKQAZTAQHVFS-GORDUTHDSA-N
MW258.36 g/mol
LogP1.68
Rot. Bonds3

About 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine

4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine (PubChem CID 142417025) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine
PubChem CID142417025
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine
SMILESC(=C/c1cccc2c1CCNC2)\CN1CCOCC1
InChIInChI=1S/C16H22N2O/c1-3-14(16-6-7-17-13-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1-5,17H,6-13H2/b5-2+
InChIKeyXDDKQAZTAQHVFS-GORDUTHDSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine (CID 142417025) is 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine is C(=C/c1cccc2c1CCNC2)\CN1CCOCC1.
What is the InChIKey of 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine?
The InChIKey is XDDKQAZTAQHVFS-GORDUTHDSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-14(16-6-7-17-13-15(16)4-1)5-2-8-18-9-11-19-12-10-18/h1-5,17H,6-13H2/b5-2+.
What are the key properties of 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine?
4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine has a molecular weight of 258.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 142417025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).