4-(1-isoselenocyanatoethyl)morpholine

C7H12N2OSe — CID 162436496

IUPAC4-(1-isoselenocyanatoethyl)morpholine
SMILESCC(N=C=[Se])N1CCOCC1
InChIInChI=1S/C7H12N2OSe/c1-7(8-6-11)9-2-4-10-5-3-9/h7H,2-5H2,1H3
InChIKeyDMEGDRIXIJNDCB-UHFFFAOYSA-N
MW219.15 g/mol
LogP-0.26
Rot. Bonds2

About 4-(1-isoselenocyanatoethyl)morpholine

4-(1-isoselenocyanatoethyl)morpholine (PubChem CID 162436496) has the molecular formula C7H12N2OSe and a molecular weight of 219.15 g/mol. Its IUPAC name is 4-(1-isoselenocyanatoethyl)morpholine.

Molecular Properties

Compound Name4-(1-isoselenocyanatoethyl)morpholine
PubChem CID162436496
Molecular FormulaC7H12N2OSe
Molecular Weight219.15 g/mol
Exact Mass220.01
IUPAC Name4-(1-isoselenocyanatoethyl)morpholine
SMILESCC(N=C=[Se])N1CCOCC1
InChIInChI=1S/C7H12N2OSe/c1-7(8-6-11)9-2-4-10-5-3-9/h7H,2-5H2,1H3
InChIKeyDMEGDRIXIJNDCB-UHFFFAOYSA-N
XLogP-0.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-isoselenocyanatoethyl)morpholine?
The IUPAC name of 4-(1-isoselenocyanatoethyl)morpholine (CID 162436496) is 4-(1-isoselenocyanatoethyl)morpholine.
What is the SMILES notation for 4-(1-isoselenocyanatoethyl)morpholine?
The canonical SMILES for 4-(1-isoselenocyanatoethyl)morpholine is CC(N=C=[Se])N1CCOCC1.
What is the InChIKey of 4-(1-isoselenocyanatoethyl)morpholine?
The InChIKey is DMEGDRIXIJNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OSe/c1-7(8-6-11)9-2-4-10-5-3-9/h7H,2-5H2,1H3.
What are the key properties of 4-(1-isoselenocyanatoethyl)morpholine?
4-(1-isoselenocyanatoethyl)morpholine has a molecular weight of 219.15 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-isoselenocyanatoethyl)morpholine is sourced from PubChem (CID 162436496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).