4-hepta-2,4-dien-3-ylmorpholine

C11H19NO — CID 123272752

IUPAC4-hepta-2,4-dien-3-ylmorpholine
SMILESCC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3
InChIKeyFJTOXPNBZPPFLQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds3

About 4-hepta-2,4-dien-3-ylmorpholine

4-hepta-2,4-dien-3-ylmorpholine (PubChem CID 123272752) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-hepta-2,4-dien-3-ylmorpholine.

Molecular Properties

Compound Name4-hepta-2,4-dien-3-ylmorpholine
PubChem CID123272752
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-hepta-2,4-dien-3-ylmorpholine
SMILESCC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3
InChIKeyFJTOXPNBZPPFLQ-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyridinium, 1,2,5,6-tetrahydro-1,1-dimethyl-4-morpholino-, iodide
CID 377674
4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 294112
4-[(E)-pent-2-en-3-yl]morpholine
CID 5839066
4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
N-(3-penten-2-yl)-morpholine
CID 3828336
3-Morpholino-2-pentene
CID 10964743
4-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)morpholine
CID 12856181
N-octadienylmorpholine
CID 23467545
4-Pent-2-enylmorpholine
CID 68590211
4-(2-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 141053452
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
CID 141086244
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116

Frequently Asked Questions

What is the IUPAC name of 4-hepta-2,4-dien-3-ylmorpholine?
The IUPAC name of 4-hepta-2,4-dien-3-ylmorpholine (CID 123272752) is 4-hepta-2,4-dien-3-ylmorpholine.
What is the SMILES notation for 4-hepta-2,4-dien-3-ylmorpholine?
The canonical SMILES for 4-hepta-2,4-dien-3-ylmorpholine is CC=C(C=CCC)N1CCOCC1.
What is the InChIKey of 4-hepta-2,4-dien-3-ylmorpholine?
The InChIKey is FJTOXPNBZPPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 4-hepta-2,4-dien-3-ylmorpholine?
4-hepta-2,4-dien-3-ylmorpholine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-2,4-dien-3-ylmorpholine is sourced from PubChem (CID 123272752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).