prop-2-enenitrile;selane

C3H5NSe — CID 175541526

IUPACprop-2-enenitrile;selane
SMILESC=CC#N.[SeH2]
InChIInChI=1S/C3H3N.H2Se/c1-2-3-4;/h2H,1H2;1H2
InChIKeyCCVUASKPBHPMJE-UHFFFAOYSA-N
MW134.04 g/mol
LogP-0.22
Rot. Bonds

About prop-2-enenitrile;selane

prop-2-enenitrile;selane (PubChem CID 175541526) has the molecular formula C3H5NSe and a molecular weight of 134.04 g/mol. Its IUPAC name is prop-2-enenitrile;selane.

Molecular Properties

Compound Nameprop-2-enenitrile;selane
PubChem CID175541526
Molecular FormulaC3H5NSe
Molecular Weight134.04 g/mol
Exact Mass134.96
IUPAC Nameprop-2-enenitrile;selane
SMILESC=CC#N.[SeH2]
InChIInChI=1S/C3H3N.H2Se/c1-2-3-4;/h2H,1H2;1H2
InChIKeyCCVUASKPBHPMJE-UHFFFAOYSA-N
XLogP-0.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.04
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enenitrile;selane?
The IUPAC name of prop-2-enenitrile;selane (CID 175541526) is prop-2-enenitrile;selane.
What is the SMILES notation for prop-2-enenitrile;selane?
The canonical SMILES for prop-2-enenitrile;selane is C=CC#N.[SeH2].
What is the InChIKey of prop-2-enenitrile;selane?
The InChIKey is CCVUASKPBHPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.H2Se/c1-2-3-4;/h2H,1H2;1H2.
What are the key properties of prop-2-enenitrile;selane?
prop-2-enenitrile;selane has a molecular weight of 134.04 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enenitrile;selane is sourced from PubChem (CID 175541526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).