ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide

C6H14BINO2P — CID 159430194

IUPACethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
SMILESC=C.CCOCC(=O)NB(P)I
InChIInChI=1S/C4H10BINO2P.C2H4/c1-2-9-3-4(8)7-5(6)10;1-2/h2-3,10H2,1H3,(H,7,8);1-2H2
InChIKeyLQWRJRMCQZHITE-UHFFFAOYSA-N
MW300.87 g/mol
LogP1.24
Rot. Bonds4

About ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide

ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide (PubChem CID 159430194) has the molecular formula C6H14BINO2P and a molecular weight of 300.87 g/mol. Its IUPAC name is ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide.

Molecular Properties

Compound Nameethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
PubChem CID159430194
Molecular FormulaC6H14BINO2P
Molecular Weight300.87 g/mol
Exact Mass300.99
IUPAC Nameethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
SMILESC=C.CCOCC(=O)NB(P)I
InChIInChI=1S/C4H10BINO2P.C2H4/c1-2-9-3-4(8)7-5(6)10;1-2/h2-3,10H2,1H3,(H,7,8);1-2H2
InChIKeyLQWRJRMCQZHITE-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The IUPAC name of ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide (CID 159430194) is ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide.
What is the SMILES notation for ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The canonical SMILES for ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide is C=C.CCOCC(=O)NB(P)I.
What is the InChIKey of ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The InChIKey is LQWRJRMCQZHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BINO2P.C2H4/c1-2-9-3-4(8)7-5(6)10;1-2/h2-3,10H2,1H3,(H,7,8);1-2H2.
What are the key properties of ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide has a molecular weight of 300.87 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide is sourced from PubChem (CID 159430194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).