ethoxyphosphanylformonitrile

C3H6NOP — CID 54051630

IUPACethoxyphosphanylformonitrile
SMILESCCOPC#N
InChIInChI=1S/C3H6NOP/c1-2-5-6-3-4/h6H,2H2,1H3
InChIKeyLTHBSMMIYUSELJ-UHFFFAOYSA-N
MW103.06 g/mol
LogP1.10
Rot. Bonds2

About ethoxyphosphanylformonitrile

ethoxyphosphanylformonitrile (PubChem CID 54051630) has the molecular formula C3H6NOP and a molecular weight of 103.06 g/mol. Its IUPAC name is ethoxyphosphanylformonitrile.

Molecular Properties

Compound Nameethoxyphosphanylformonitrile
PubChem CID54051630
Molecular FormulaC3H6NOP
Molecular Weight103.06 g/mol
Exact Mass103.02
IUPAC Nameethoxyphosphanylformonitrile
SMILESCCOPC#N
InChIInChI=1S/C3H6NOP/c1-2-5-6-3-4/h6H,2H2,1H3
InChIKeyLTHBSMMIYUSELJ-UHFFFAOYSA-N
XLogP1.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.06
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxyphosphanylformonitrile?
The IUPAC name of ethoxyphosphanylformonitrile (CID 54051630) is ethoxyphosphanylformonitrile.
What is the SMILES notation for ethoxyphosphanylformonitrile?
The canonical SMILES for ethoxyphosphanylformonitrile is CCOPC#N.
What is the InChIKey of ethoxyphosphanylformonitrile?
The InChIKey is LTHBSMMIYUSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOP/c1-2-5-6-3-4/h6H,2H2,1H3.
What are the key properties of ethoxyphosphanylformonitrile?
ethoxyphosphanylformonitrile has a molecular weight of 103.06 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyphosphanylformonitrile is sourced from PubChem (CID 54051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).