2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one

C15H23NO3 — CID 162740826

IUPAC2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
SMILESC=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1
InChIInChI=1S/C15H23NO3/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2/h5,7,14H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKeyLOEBWTASNUGIPT-ALCCZGGFSA-N
MW265.35 g/mol
LogP1.94
Rot. Bonds7

About 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one

2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one (PubChem CID 162740826) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
PubChem CID162740826
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
SMILESC=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1
InChIInChI=1S/C15H23NO3/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2/h5,7,14H,3-4,6,8-11H2,1-2H3/b7-5-
InChIKeyLOEBWTASNUGIPT-ALCCZGGFSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The IUPAC name of 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one (CID 162740826) is 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one.
What is the SMILES notation for 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The canonical SMILES for 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one is C=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1.
What is the InChIKey of 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The InChIKey is LOEBWTASNUGIPT-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2/h5,7,14H,3-4,6,8-11H2,1-2H3/b7-5-.
What are the key properties of 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one has a molecular weight of 265.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one is sourced from PubChem (CID 162740826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).