[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol

C11H17NO3 — CID 143663535

IUPAC[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
SMILESC=C/C(OC)=C1/NC(CO)CO/C1=C/C
InChIInChI=1S/C11H17NO3/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11/h4-5,8,12-13H,1,6-7H2,2-3H3/b10-5+,11-9-
InChIKeyBECKAACPZMQOSM-NVQVXASISA-N
MW211.26 g/mol
LogP0.91
Rot. Bonds3

About [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol

[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol (PubChem CID 143663535) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
PubChem CID143663535
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
SMILESC=C/C(OC)=C1/NC(CO)CO/C1=C/C
InChIInChI=1S/C11H17NO3/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11/h4-5,8,12-13H,1,6-7H2,2-3H3/b10-5+,11-9-
InChIKeyBECKAACPZMQOSM-NVQVXASISA-N
XLogP0.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The IUPAC name of [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol (CID 143663535) is [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol.
What is the SMILES notation for [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The canonical SMILES for [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol is C=C/C(OC)=C1/NC(CO)CO/C1=C/C.
What is the InChIKey of [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The InChIKey is BECKAACPZMQOSM-NVQVXASISA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11/h4-5,8,12-13H,1,6-7H2,2-3H3/b10-5+,11-9-.
What are the key properties of [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol is sourced from PubChem (CID 143663535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).