2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone

C12H19NO3 — CID 59123829

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone
SMILESC/C=C\C(=C/C)OCC(=O)N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-3-5-11(4-2)16-10-12(14)13-6-8-15-9-7-13/h3-5H,6-10H2,1-2H3/b5-3-,11-4+
InChIKeyWRJVPKOJNZQCTO-DVJFJSKXSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds4

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone

2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 59123829) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone
PubChem CID59123829
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone
SMILESC/C=C\C(=C/C)OCC(=O)N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-3-5-11(4-2)16-10-12(14)13-6-8-15-9-7-13/h3-5H,6-10H2,1-2H3/b5-3-,11-4+
InChIKeyWRJVPKOJNZQCTO-DVJFJSKXSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone (CID 59123829) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone is C/C=C\C(=C/C)OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is WRJVPKOJNZQCTO-DVJFJSKXSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-5-11(4-2)16-10-12(14)13-6-8-15-9-7-13/h3-5H,6-10H2,1-2H3/b5-3-,11-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 225.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 59123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).