4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one

C14H24N2O2 — CID 134406135

IUPAC4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
SMILESCC/C(=C\C/C=C(/C)NC)CN1CCOCC1=O
InChIInChI=1S/C14H24N2O2/c1-4-13(7-5-6-12(2)15-3)10-16-8-9-18-11-14(16)17/h6-7,15H,4-5,8-11H2,1-3H3/b12-6-,13-7+
InChIKeyYZXYIVLZCGEHEE-VOFKWTQNSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds6

About 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one

4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one (PubChem CID 134406135) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
PubChem CID134406135
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
SMILESCC/C(=C\C/C=C(/C)NC)CN1CCOCC1=O
InChIInChI=1S/C14H24N2O2/c1-4-13(7-5-6-12(2)15-3)10-16-8-9-18-11-14(16)17/h6-7,15H,4-5,8-11H2,1-3H3/b12-6-,13-7+
InChIKeyYZXYIVLZCGEHEE-VOFKWTQNSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one?
The IUPAC name of 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one (CID 134406135) is 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one.
What is the SMILES notation for 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one?
The canonical SMILES for 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one is CC/C(=C\C/C=C(/C)NC)CN1CCOCC1=O.
What is the InChIKey of 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one?
The InChIKey is YZXYIVLZCGEHEE-VOFKWTQNSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-13(7-5-6-12(2)15-3)10-16-8-9-18-11-14(16)17/h6-7,15H,4-5,8-11H2,1-3H3/b12-6-,13-7+.
What are the key properties of 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one?
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one has a molecular weight of 252.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one is sourced from PubChem (CID 134406135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).