1-cyanopropyl-ethoxy-oxophosphanium

C6H11NO2P+ — CID 130464298

IUPAC1-cyanopropyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(C#N)CC
InChIInChI=1S/C6H11NO2P/c1-3-6(5-7)10(8)9-4-2/h6H,3-4H2,1-2H3/q+1
InChIKeyTYZBMFJPEXTVFJ-UHFFFAOYSA-N
MW160.13 g/mol
LogP2.07
Rot. Bonds4

About 1-cyanopropyl-ethoxy-oxophosphanium

1-cyanopropyl-ethoxy-oxophosphanium (PubChem CID 130464298) has the molecular formula C6H11NO2P+ and a molecular weight of 160.13 g/mol. Its IUPAC name is 1-cyanopropyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name1-cyanopropyl-ethoxy-oxophosphanium
PubChem CID130464298
Molecular FormulaC6H11NO2P+
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name1-cyanopropyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(C#N)CC
InChIInChI=1S/C6H11NO2P/c1-3-6(5-7)10(8)9-4-2/h6H,3-4H2,1-2H3/q+1
InChIKeyTYZBMFJPEXTVFJ-UHFFFAOYSA-N
XLogP2.07
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyano(methylsulfonyloxy)methyl]-ethoxy-oxophosphanium
CID 130464304
1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium
CID 175073064
3-cyanopropoxy-ethoxy-oxophosphanium
CID 174717255
ethoxy-octan-3-yl-oxophosphanium
CID 20976036
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
CID 157268042
CID 157268042
ethoxy-oxo-(1-propan-2-yloxysulfonylethyl)phosphanium
CID 88935537
2-selanylbutanenitrile
CID 175358380
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
CID 158506606
CID 158506606
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
CID 130464338
2-diethoxyphosphorylbutanenitrile
CID 13179404

Frequently Asked Questions

What is the IUPAC name of 1-cyanopropyl-ethoxy-oxophosphanium?
The IUPAC name of 1-cyanopropyl-ethoxy-oxophosphanium (CID 130464298) is 1-cyanopropyl-ethoxy-oxophosphanium.
What is the SMILES notation for 1-cyanopropyl-ethoxy-oxophosphanium?
The canonical SMILES for 1-cyanopropyl-ethoxy-oxophosphanium is CCO[P+](=O)C(C#N)CC.
What is the InChIKey of 1-cyanopropyl-ethoxy-oxophosphanium?
The InChIKey is TYZBMFJPEXTVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2P/c1-3-6(5-7)10(8)9-4-2/h6H,3-4H2,1-2H3/q+1.
What are the key properties of 1-cyanopropyl-ethoxy-oxophosphanium?
1-cyanopropyl-ethoxy-oxophosphanium has a molecular weight of 160.13 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanopropyl-ethoxy-oxophosphanium is sourced from PubChem (CID 130464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).