4-(3-prop-2-enoxypyrazin-2-yl)morpholine

C11H15N3O2 — CID 57067635

IUPAC4-(3-prop-2-enoxypyrazin-2-yl)morpholine
SMILESC=CCOc1nccnc1N1CCOCC1
InChIInChI=1S/C11H15N3O2/c1-2-7-16-11-10(12-3-4-13-11)14-5-8-15-9-6-14/h2-4H,1,5-9H2
InChIKeyKBVRMHYXYDCRNR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds4

About 4-(3-prop-2-enoxypyrazin-2-yl)morpholine

4-(3-prop-2-enoxypyrazin-2-yl)morpholine (PubChem CID 57067635) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-prop-2-enoxypyrazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-prop-2-enoxypyrazin-2-yl)morpholine
PubChem CID57067635
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(3-prop-2-enoxypyrazin-2-yl)morpholine
SMILESC=CCOc1nccnc1N1CCOCC1
InChIInChI=1S/C11H15N3O2/c1-2-7-16-11-10(12-3-4-13-11)14-5-8-15-9-6-14/h2-4H,1,5-9H2
InChIKeyKBVRMHYXYDCRNR-UHFFFAOYSA-N
XLogP0.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(3-prop-2-enoxypyrazin-2-yl)morpholine?
The IUPAC name of 4-(3-prop-2-enoxypyrazin-2-yl)morpholine (CID 57067635) is 4-(3-prop-2-enoxypyrazin-2-yl)morpholine.
What is the SMILES notation for 4-(3-prop-2-enoxypyrazin-2-yl)morpholine?
The canonical SMILES for 4-(3-prop-2-enoxypyrazin-2-yl)morpholine is C=CCOc1nccnc1N1CCOCC1.
What is the InChIKey of 4-(3-prop-2-enoxypyrazin-2-yl)morpholine?
The InChIKey is KBVRMHYXYDCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-7-16-11-10(12-3-4-13-11)14-5-8-15-9-6-14/h2-4H,1,5-9H2.
What are the key properties of 4-(3-prop-2-enoxypyrazin-2-yl)morpholine?
4-(3-prop-2-enoxypyrazin-2-yl)morpholine has a molecular weight of 221.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-prop-2-enoxypyrazin-2-yl)morpholine is sourced from PubChem (CID 57067635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).