4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine

C11H16BrNO — CID 138711415

IUPAC4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
SMILESC=C/C=C(\C=C/CBr)N1CCOCC1
InChIInChI=1S/C11H16BrNO/c1-2-4-11(5-3-6-12)13-7-9-14-10-8-13/h2-5H,1,6-10H2/b5-3-,11-4+
InChIKeyVNACAOYIHRFRIL-DVJFJSKXSA-N
MW258.16 g/mol
LogP2.34
Rot. Bonds4

About 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine

4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine (PubChem CID 138711415) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
PubChem CID138711415
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
SMILESC=C/C=C(\C=C/CBr)N1CCOCC1
InChIInChI=1S/C11H16BrNO/c1-2-4-11(5-3-6-12)13-7-9-14-10-8-13/h2-5H,1,6-10H2/b5-3-,11-4+
InChIKeyVNACAOYIHRFRIL-DVJFJSKXSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine?
The IUPAC name of 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine (CID 138711415) is 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine.
What is the SMILES notation for 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine?
The canonical SMILES for 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine is C=C/C=C(\C=C/CBr)N1CCOCC1.
What is the InChIKey of 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine?
The InChIKey is VNACAOYIHRFRIL-DVJFJSKXSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-4-11(5-3-6-12)13-7-9-14-10-8-13/h2-5H,1,6-10H2/b5-3-,11-4+.
What are the key properties of 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine?
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine has a molecular weight of 258.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine is sourced from PubChem (CID 138711415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).