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

C8H15NO — CID 87714144

IUPAC3-[(E)-but-2-enyl]morpholine
SMILESC/C=C/CC1COCCN1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyKQYAUPILBODHFG-NSCUHMNNSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 3-[(E)-but-2-enyl]morpholine

3-[(E)-but-2-enyl]morpholine (PubChem CID 87714144) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]morpholine.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]morpholine
PubChem CID87714144
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-[(E)-but-2-enyl]morpholine
SMILESC/C=C/CC1COCCN1
InChIInChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyKQYAUPILBODHFG-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 3-[(E)-but-2-enyl]morpholine?
The IUPAC name of 3-[(E)-but-2-enyl]morpholine (CID 87714144) is 3-[(E)-but-2-enyl]morpholine.
What is the SMILES notation for 3-[(E)-but-2-enyl]morpholine?
The canonical SMILES for 3-[(E)-but-2-enyl]morpholine is C/C=C/CC1COCCN1.
What is the InChIKey of 3-[(E)-but-2-enyl]morpholine?
The InChIKey is KQYAUPILBODHFG-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-8-7-10-6-5-9-8/h2-3,8-9H,4-7H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enyl]morpholine?
3-[(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 3-[(E)-but-2-enyl]morpholine is sourced from PubChem (CID 87714144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).