(3R)-3-[(E)-but-2-en-2-yl]morpholine

C8H15NO — CID 167197416

IUPAC(3R)-3-[(E)-but-2-en-2-yl]morpholine
SMILESC/C=C(\C)[C@@H]1COCCN1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-6-10-5-4-9-8/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-/m0/s1
InChIKeyFTZCHFAVQZHIAO-DKCNVOGISA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds1

About (3R)-3-[(E)-but-2-en-2-yl]morpholine

(3R)-3-[(E)-but-2-en-2-yl]morpholine (PubChem CID 167197416) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R)-3-[(E)-but-2-en-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-[(E)-but-2-en-2-yl]morpholine
PubChem CID167197416
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R)-3-[(E)-but-2-en-2-yl]morpholine
SMILESC/C=C(\C)[C@@H]1COCCN1
InChIInChI=1S/C8H15NO/c1-3-7(2)8-6-10-5-4-9-8/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-/m0/s1
InChIKeyFTZCHFAVQZHIAO-DKCNVOGISA-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 (3R)-3-[(E)-but-2-en-2-yl]morpholine?
The IUPAC name of (3R)-3-[(E)-but-2-en-2-yl]morpholine (CID 167197416) is (3R)-3-[(E)-but-2-en-2-yl]morpholine.
What is the SMILES notation for (3R)-3-[(E)-but-2-en-2-yl]morpholine?
The canonical SMILES for (3R)-3-[(E)-but-2-en-2-yl]morpholine is C/C=C(\C)[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-[(E)-but-2-en-2-yl]morpholine?
The InChIKey is FTZCHFAVQZHIAO-DKCNVOGISA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7(2)8-6-10-5-4-9-8/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-/m0/s1.
What are the key properties of (3R)-3-[(E)-but-2-en-2-yl]morpholine?
(3R)-3-[(E)-but-2-en-2-yl]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 (3R)-3-[(E)-but-2-en-2-yl]morpholine is sourced from PubChem (CID 167197416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).