4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine

C11H16BrNO — CID 155748079

IUPAC4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(Br)/C=C\C(=C/C)N1CCOCC1
InChIInChI=1S/C11H16BrNO/c1-3-11(5-4-10(2)12)13-6-8-14-9-7-13/h3-5H,2,6-9H2,1H3/b5-4-,11-3+
InChIKeyRLAYKHVBTLETDL-NEPXUXLISA-N
MW258.16 g/mol
LogP2.69
Rot. Bonds3

About 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine

4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine (PubChem CID 155748079) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
PubChem CID155748079
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(Br)/C=C\C(=C/C)N1CCOCC1
InChIInChI=1S/C11H16BrNO/c1-3-11(5-4-10(2)12)13-6-8-14-9-7-13/h3-5H,2,6-9H2,1H3/b5-4-,11-3+
InChIKeyRLAYKHVBTLETDL-NEPXUXLISA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-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

Related Compounds

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
(Z)-2-morpholin-4-ylbut-2-enal
CID 11367132
4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]morpholine
CID 144607333
(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
CID 176760810
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
CID 138711415
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
CID 166764494
N-[(1Z)-3-methylbuta-1,3-dienyl]-1-morpholin-4-ylethanimine
CID 170440486
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
N,N-dimethyl-1-morpholin-4-ylethenamine
CID 142039322
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
ethane;N-methyl-2-morpholin-4-ylprop-2-en-1-amine
CID 177002503

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine?
The IUPAC name of 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine (CID 155748079) is 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine.
What is the SMILES notation for 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine?
The canonical SMILES for 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine is C=C(Br)/C=C\C(=C/C)N1CCOCC1.
What is the InChIKey of 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine?
The InChIKey is RLAYKHVBTLETDL-NEPXUXLISA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-11(5-4-10(2)12)13-6-8-14-9-7-13/h3-5H,2,6-9H2,1H3/b5-4-,11-3+.
What are the key properties of 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine?
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine has a molecular weight of 258.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine is sourced from PubChem (CID 155748079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).