4-[(E)-4-bromobut-2-enyl]morpholine

C8H14BrNO — CID 118035457

IUPAC4-[(E)-4-bromobut-2-enyl]morpholine
SMILESBrC/C=C/CN1CCOCC1
InChIInChI=1S/C8H14BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+
InChIKeyXENYPOMQVOQSRK-OWOJBTEDSA-N
MW220.11 g/mol
LogP1.27
Rot. Bonds3

About 4-[(E)-4-bromobut-2-enyl]morpholine

4-[(E)-4-bromobut-2-enyl]morpholine (PubChem CID 118035457) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 4-[(E)-4-bromobut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4-bromobut-2-enyl]morpholine
PubChem CID118035457
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name4-[(E)-4-bromobut-2-enyl]morpholine
SMILESBrC/C=C/CN1CCOCC1
InChIInChI=1S/C8H14BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+
InChIKeyXENYPOMQVOQSRK-OWOJBTEDSA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798
4-[(E)-but-2-enyl]morpholine
CID 10909666
(E)-5-morpholin-4-ylpent-3-enal
CID 115013576
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-[(Z)-non-2-enyl]morpholine
CID 101051916
2-morpholin-4-ylacetaldehyde
CID 59310625
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-bromobut-2-enyl]morpholine?
The IUPAC name of 4-[(E)-4-bromobut-2-enyl]morpholine (CID 118035457) is 4-[(E)-4-bromobut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4-bromobut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4-bromobut-2-enyl]morpholine is BrC/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-4-bromobut-2-enyl]morpholine?
The InChIKey is XENYPOMQVOQSRK-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+.
What are the key properties of 4-[(E)-4-bromobut-2-enyl]morpholine?
4-[(E)-4-bromobut-2-enyl]morpholine has a molecular weight of 220.11 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-bromobut-2-enyl]morpholine is sourced from PubChem (CID 118035457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).