(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine

C11H17NO2 — CID 89113430

IUPAC(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine
SMILESC#C/C(=C\C)C1OCCN[C@@H]1COC
InChIInChI=1S/C11H17NO2/c1-4-9(5-2)11-10(8-13-3)12-6-7-14-11/h1,5,10-12H,6-8H2,2-3H3/b9-5+/t10-,11?/m1/s1
InChIKeyZKXHLBZRMSAPGY-OSRVUKEOSA-N
MW195.26 g/mol
LogP0.57
Rot. Bonds3

About (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine

(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine (PubChem CID 89113430) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine
PubChem CID89113430
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine
SMILESC#C/C(=C\C)C1OCCN[C@@H]1COC
InChIInChI=1S/C11H17NO2/c1-4-9(5-2)11-10(8-13-3)12-6-7-14-11/h1,5,10-12H,6-8H2,2-3H3/b9-5+/t10-,11?/m1/s1
InChIKeyZKXHLBZRMSAPGY-OSRVUKEOSA-N
XLogP0.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine?
The IUPAC name of (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine (CID 89113430) is (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine.
What is the SMILES notation for (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine?
The canonical SMILES for (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine is C#C/C(=C\C)C1OCCN[C@@H]1COC.
What is the InChIKey of (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine?
The InChIKey is ZKXHLBZRMSAPGY-OSRVUKEOSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-9(5-2)11-10(8-13-3)12-6-7-14-11/h1,5,10-12H,6-8H2,2-3H3/b9-5+/t10-,11?/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine?
(3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine has a molecular weight of 195.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-2-[(E)-pent-3-en-1-yn-3-yl]morpholine is sourced from PubChem (CID 89113430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).