oxalonitrile;1-phosphorosooxyethane

C4H5N2O2P — CID 174488191

IUPACoxalonitrile;1-phosphorosooxyethane
SMILESCCOP=O.N#CC#N
InChIInChI=1S/C2N2.C2H5O2P/c3-1-2-4;1-2-4-5-3/h;2H2,1H3
InChIKeyRRASZRQQCBZKFX-UHFFFAOYSA-N
MW144.07 g/mol
LogP1.26
Rot. Bonds2

About oxalonitrile;1-phosphorosooxyethane

oxalonitrile;1-phosphorosooxyethane (PubChem CID 174488191) has the molecular formula C4H5N2O2P and a molecular weight of 144.07 g/mol. Its IUPAC name is oxalonitrile;1-phosphorosooxyethane.

Molecular Properties

Compound Nameoxalonitrile;1-phosphorosooxyethane
PubChem CID174488191
Molecular FormulaC4H5N2O2P
Molecular Weight144.07 g/mol
Exact Mass144.01
IUPAC Nameoxalonitrile;1-phosphorosooxyethane
SMILESCCOP=O.N#CC#N
InChIInChI=1S/C2N2.C2H5O2P/c3-1-2-4;1-2-4-5-3/h;2H2,1H3
InChIKeyRRASZRQQCBZKFX-UHFFFAOYSA-N
XLogP1.26
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalonitrile;1-phosphorosooxyethane?
The IUPAC name of oxalonitrile;1-phosphorosooxyethane (CID 174488191) is oxalonitrile;1-phosphorosooxyethane.
What is the SMILES notation for oxalonitrile;1-phosphorosooxyethane?
The canonical SMILES for oxalonitrile;1-phosphorosooxyethane is CCOP=O.N#CC#N.
What is the InChIKey of oxalonitrile;1-phosphorosooxyethane?
The InChIKey is RRASZRQQCBZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.C2H5O2P/c3-1-2-4;1-2-4-5-3/h;2H2,1H3.
What are the key properties of oxalonitrile;1-phosphorosooxyethane?
oxalonitrile;1-phosphorosooxyethane has a molecular weight of 144.07 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;1-phosphorosooxyethane is sourced from PubChem (CID 174488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).