4-hexa-1,3,5-trien-3-ylmorpholine

C10H15NO — CID 90881942

IUPAC4-hexa-1,3,5-trien-3-ylmorpholine
SMILESC=CC=C(C=C)N1CCOCC1
InChIInChI=1S/C10H15NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,1-2,6-9H2
InChIKeyZDXAAEAZRHADFC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds3

About 4-hexa-1,3,5-trien-3-ylmorpholine

4-hexa-1,3,5-trien-3-ylmorpholine (PubChem CID 90881942) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-hexa-1,3,5-trien-3-ylmorpholine.

Molecular Properties

Compound Name4-hexa-1,3,5-trien-3-ylmorpholine
PubChem CID90881942
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-hexa-1,3,5-trien-3-ylmorpholine
SMILESC=CC=C(C=C)N1CCOCC1
InChIInChI=1S/C10H15NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,1-2,6-9H2
InChIKeyZDXAAEAZRHADFC-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
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

1-Morpholino-1,3-butadiene
CID 5372462
4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-(Buta-1,3-dien-1-yl)morpholine
CID 586981
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
4-(Morpholin-1-yl)phenylmagnesium bromide, 0.25 M in THF
CID 85865892
4-Penta-1,4-dien-2-ylmorpholine
CID 134992593
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
4-(4-Fluoropenta-1,3-dien-3-yl)morpholine
CID 123587571
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3,5-trien-3-ylmorpholine?
The IUPAC name of 4-hexa-1,3,5-trien-3-ylmorpholine (CID 90881942) is 4-hexa-1,3,5-trien-3-ylmorpholine.
What is the SMILES notation for 4-hexa-1,3,5-trien-3-ylmorpholine?
The canonical SMILES for 4-hexa-1,3,5-trien-3-ylmorpholine is C=CC=C(C=C)N1CCOCC1.
What is the InChIKey of 4-hexa-1,3,5-trien-3-ylmorpholine?
The InChIKey is ZDXAAEAZRHADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5H,1-2,6-9H2.
What are the key properties of 4-hexa-1,3,5-trien-3-ylmorpholine?
4-hexa-1,3,5-trien-3-ylmorpholine has a molecular weight of 165.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3,5-trien-3-ylmorpholine is sourced from PubChem (CID 90881942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).