4-[(E)-1-deuterio-2-phenylethenyl]morpholine

C12H15NO — CID 100965293

IUPAC4-[(E)-1-deuterio-2-phenylethenyl]morpholine
SMILES[2H]/C(=C\c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7H,8-11H2/b7-6+/i7D
InChIKeyXWLLGMTXHZNRDQ-GKQNXKQYSA-N
MW190.26 g/mol
LogP1.99
Rot. Bonds2

About 4-[(E)-1-deuterio-2-phenylethenyl]morpholine

4-[(E)-1-deuterio-2-phenylethenyl]morpholine (PubChem CID 100965293) has the molecular formula C12H15NO and a molecular weight of 190.26 g/mol. Its IUPAC name is 4-[(E)-1-deuterio-2-phenylethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1-deuterio-2-phenylethenyl]morpholine
PubChem CID100965293
Molecular FormulaC12H15NO
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name4-[(E)-1-deuterio-2-phenylethenyl]morpholine
SMILES[2H]/C(=C\c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7H,8-11H2/b7-6+/i7D
InChIKeyXWLLGMTXHZNRDQ-GKQNXKQYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-deuterio-2-phenylethenyl]morpholine?
The IUPAC name of 4-[(E)-1-deuterio-2-phenylethenyl]morpholine (CID 100965293) is 4-[(E)-1-deuterio-2-phenylethenyl]morpholine.
What is the SMILES notation for 4-[(E)-1-deuterio-2-phenylethenyl]morpholine?
The canonical SMILES for 4-[(E)-1-deuterio-2-phenylethenyl]morpholine is [2H]/C(=C\c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E)-1-deuterio-2-phenylethenyl]morpholine?
The InChIKey is XWLLGMTXHZNRDQ-GKQNXKQYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7H,8-11H2/b7-6+/i7D.
What are the key properties of 4-[(E)-1-deuterio-2-phenylethenyl]morpholine?
4-[(E)-1-deuterio-2-phenylethenyl]morpholine has a molecular weight of 190.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-deuterio-2-phenylethenyl]morpholine is sourced from PubChem (CID 100965293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).