(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine

C8H15NO — CID 130456753

IUPAC(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C8H15NO/c1-3-4-8-7(2)10-6-5-9-8/h3-4,7-9H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1
InChIKeyRUCWUUKIAPEAAE-ATXJSMISSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds1

About (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine

(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine (PubChem CID 130456753) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine
PubChem CID130456753
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C8H15NO/c1-3-4-8-7(2)10-6-5-9-8/h3-4,7-9H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1
InChIKeyRUCWUUKIAPEAAE-ATXJSMISSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine?
The IUPAC name of (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine (CID 130456753) is (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine.
What is the SMILES notation for (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine?
The canonical SMILES for (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine is C/C=C/[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine?
The InChIKey is RUCWUUKIAPEAAE-ATXJSMISSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-8-7(2)10-6-5-9-8/h3-4,7-9H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine?
(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine is sourced from PubChem (CID 130456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).