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

C17H27NO3 — CID 162740825

IUPACethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
SMILESC=C.C=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1
InChIInChI=1S/C15H23NO3.C2H4/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2;1-2/h5,7,14H,3-4,6,8-11H2,1-2H3;1-2H2/b7-5-;
InChIKeyNDZXBURPEQZWTK-YJOCEBFMSA-N
MW293.41 g/mol
LogP2.74
Rot. Bonds7

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

ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one (PubChem CID 162740825) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Nameethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
PubChem CID162740825
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
SMILESC=C.C=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1
InChIInChI=1S/C15H23NO3.C2H4/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2;1-2/h5,7,14H,3-4,6,8-11H2,1-2H3;1-2H2/b7-5-;
InChIKeyNDZXBURPEQZWTK-YJOCEBFMSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone
CID 143482919
3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
CID 102646951
3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
CID 102646960
3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
CID 102646961
2,3-Dihydrofuran-5-yl-(4-ethylmorpholin-2-yl)methanone
CID 102651037
2,3-Dihydrofuran-5-yl-(4-propylmorpholin-2-yl)methanone
CID 102651038
2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
CID 162740826

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The IUPAC name of ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one (CID 162740825) is ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one.
What is the SMILES notation for ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The canonical SMILES for ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one is C=C.C=C(/C=C\C)CN1CCOC(C(=O)C(=C)OCC)C1.
What is the InChIKey of ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
The InChIKey is NDZXBURPEQZWTK-YJOCEBFMSA-N. The full InChI is InChI=1S/C15H23NO3.C2H4/c1-5-7-12(3)10-16-8-9-19-14(11-16)15(17)13(4)18-6-2;1-2/h5,7,14H,3-4,6,8-11H2,1-2H3;1-2H2/b7-5-;.
What are the key properties of ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one?
ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one is sourced from PubChem (CID 162740825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).