[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol

C13H21NO2 — CID 89261501

IUPAC[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol
SMILESC=C/C=C\C(=C/C)CN1CCO[C@H](CO)C1
InChIInChI=1S/C13H21NO2/c1-3-5-6-12(4-2)9-14-7-8-16-13(10-14)11-15/h3-6,13,15H,1,7-11H2,2H3/b6-5-,12-4+/t13-/m0/s1
InChIKeyDOFFRHMZTQYBGI-AJZVUWHRSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds5

About [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol

[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol (PubChem CID 89261501) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol
PubChem CID89261501
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol
SMILESC=C/C=C\C(=C/C)CN1CCO[C@H](CO)C1
InChIInChI=1S/C13H21NO2/c1-3-5-6-12(4-2)9-14-7-8-16-13(10-14)11-15/h3-6,13,15H,1,7-11H2,2H3/b6-5-,12-4+/t13-/m0/s1
InChIKeyDOFFRHMZTQYBGI-AJZVUWHRSA-N
XLogP1.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol (CID 89261501) is [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol is C=C/C=C\C(=C/C)CN1CCO[C@H](CO)C1.
What is the InChIKey of [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol?
The InChIKey is DOFFRHMZTQYBGI-AJZVUWHRSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-6-12(4-2)9-14-7-8-16-13(10-14)11-15/h3-6,13,15H,1,7-11H2,2H3/b6-5-,12-4+/t13-/m0/s1.
What are the key properties of [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol?
[(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]morpholin-2-yl]methanol is sourced from PubChem (CID 89261501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).