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

C12H19NO — CID 142175589

IUPAC4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(C)/C=C\C(=C/C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4+
InChIKeyHKIVOPJZIIEPMD-JWUPWDRQSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds3

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

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine (PubChem CID 142175589) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
PubChem CID142175589
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(C)/C=C\C(=C/C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4+
InChIKeyHKIVOPJZIIEPMD-JWUPWDRQSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-6-methylhepta-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-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
CID 176760810
(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
(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
(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 143114266
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The IUPAC name of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine (CID 142175589) is 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine.
What is the SMILES notation for 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The canonical SMILES for 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine is C=C(C)/C=C\C(=C/C)N1CCOCC1.
What is the InChIKey of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The InChIKey is HKIVOPJZIIEPMD-JWUPWDRQSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3/b6-5-,12-4+.
What are the key properties of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine?
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 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-methylhepta-2,4,6-trien-3-yl]morpholine is sourced from PubChem (CID 142175589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).