3-phosphanylprop-2-enenitrile

C3H4NP — CID 86203700

IUPAC3-phosphanylprop-2-enenitrile
SMILESN#CC=CP
InChIInChI=1S/C3H4NP/c4-2-1-3-5/h1,3H,5H2
InChIKeyDYWHBYAAYLRNTC-UHFFFAOYSA-N
MW85.05 g/mol
LogP0.90
Rot. Bonds

About 3-phosphanylprop-2-enenitrile

3-phosphanylprop-2-enenitrile (PubChem CID 86203700) has the molecular formula C3H4NP and a molecular weight of 85.05 g/mol. Its IUPAC name is 3-phosphanylprop-2-enenitrile.

Molecular Properties

Compound Name3-phosphanylprop-2-enenitrile
PubChem CID86203700
Molecular FormulaC3H4NP
Molecular Weight85.05 g/mol
Exact Mass85.01
IUPAC Name3-phosphanylprop-2-enenitrile
SMILESN#CC=CP
InChIInChI=1S/C3H4NP/c4-2-1-3-5/h1,3H,5H2
InChIKeyDYWHBYAAYLRNTC-UHFFFAOYSA-N
XLogP0.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.05
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phosphanylprop-2-enenitrile?
The IUPAC name of 3-phosphanylprop-2-enenitrile (CID 86203700) is 3-phosphanylprop-2-enenitrile.
What is the SMILES notation for 3-phosphanylprop-2-enenitrile?
The canonical SMILES for 3-phosphanylprop-2-enenitrile is N#CC=CP.
What is the InChIKey of 3-phosphanylprop-2-enenitrile?
The InChIKey is DYWHBYAAYLRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NP/c4-2-1-3-5/h1,3H,5H2.
What are the key properties of 3-phosphanylprop-2-enenitrile?
3-phosphanylprop-2-enenitrile has a molecular weight of 85.05 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylprop-2-enenitrile is sourced from PubChem (CID 86203700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).