4-[(E)-6-bromohex-1-enyl]morpholine

C10H18BrNO — CID 101461788

IUPAC4-[(E)-6-bromohex-1-enyl]morpholine
SMILESBrCCCC/C=C/N1CCOCC1
InChIInChI=1S/C10H18BrNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h4,6H,1-3,5,7-10H2/b6-4+
InChIKeyFMDKDRJPWJURAT-GQCTYLIASA-N
MW248.16 g/mol
LogP2.40
Rot. Bonds5

About 4-[(E)-6-bromohex-1-enyl]morpholine

4-[(E)-6-bromohex-1-enyl]morpholine (PubChem CID 101461788) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 4-[(E)-6-bromohex-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-6-bromohex-1-enyl]morpholine
PubChem CID101461788
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name4-[(E)-6-bromohex-1-enyl]morpholine
SMILESBrCCCC/C=C/N1CCOCC1
InChIInChI=1S/C10H18BrNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h4,6H,1-3,5,7-10H2/b6-4+
InChIKeyFMDKDRJPWJURAT-GQCTYLIASA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-6-bromohex-1-enyl]morpholine?
The IUPAC name of 4-[(E)-6-bromohex-1-enyl]morpholine (CID 101461788) is 4-[(E)-6-bromohex-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-6-bromohex-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-6-bromohex-1-enyl]morpholine is BrCCCC/C=C/N1CCOCC1.
What is the InChIKey of 4-[(E)-6-bromohex-1-enyl]morpholine?
The InChIKey is FMDKDRJPWJURAT-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18BrNO/c11-5-3-1-2-4-6-12-7-9-13-10-8-12/h4,6H,1-3,5,7-10H2/b6-4+.
What are the key properties of 4-[(E)-6-bromohex-1-enyl]morpholine?
4-[(E)-6-bromohex-1-enyl]morpholine has a molecular weight of 248.16 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-6-bromohex-1-enyl]morpholine is sourced from PubChem (CID 101461788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).