2-[(E)-but-2-enyl]morpholine

C8H15NO — CID 87508580

IUPAC2-[(E)-but-2-enyl]morpholine
SMILESC/C=C/CC1CNCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyJTKHSLDJLIIELK-NSCUHMNNSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 2-[(E)-but-2-enyl]morpholine

2-[(E)-but-2-enyl]morpholine (PubChem CID 87508580) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]morpholine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]morpholine
PubChem CID87508580
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[(E)-but-2-enyl]morpholine
SMILESC/C=C/CC1CNCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyJTKHSLDJLIIELK-NSCUHMNNSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]morpholine?
The IUPAC name of 2-[(E)-but-2-enyl]morpholine (CID 87508580) is 2-[(E)-but-2-enyl]morpholine.
What is the SMILES notation for 2-[(E)-but-2-enyl]morpholine?
The canonical SMILES for 2-[(E)-but-2-enyl]morpholine is C/C=C/CC1CNCCO1.
What is the InChIKey of 2-[(E)-but-2-enyl]morpholine?
The InChIKey is JTKHSLDJLIIELK-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-8-7-9-5-6-10-8/h2-3,8-9H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]morpholine?
2-[(E)-but-2-enyl]morpholine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]morpholine is sourced from PubChem (CID 87508580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).