1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium

C6H11NO2P+ — CID 175073064

IUPAC1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium
SMILESCCC(C#N)[P+](=O)C(C)O
InChIInChI=1S/C6H11NO2P/c1-3-6(4-7)10(9)5(2)8/h5-6,8H,3H2,1-2H3/q+1
InChIKeyUVYMPEFCJWMJOP-UHFFFAOYSA-N
MW160.13 g/mol
LogP1.45
Rot. Bonds3

About 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium

1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium (PubChem CID 175073064) has the molecular formula C6H11NO2P+ and a molecular weight of 160.13 g/mol. Its IUPAC name is 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium.

Molecular Properties

Compound Name1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium
PubChem CID175073064
Molecular FormulaC6H11NO2P+
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium
SMILESCCC(C#N)[P+](=O)C(C)O
InChIInChI=1S/C6H11NO2P/c1-3-6(4-7)10(9)5(2)8/h5-6,8H,3H2,1-2H3/q+1
InChIKeyUVYMPEFCJWMJOP-UHFFFAOYSA-N
XLogP1.45
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyanopropyl-ethoxy-oxophosphanium
CID 130464298
(3R)-3-hydroxy-2-methylpentanenitrile
CID 141061922
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
(2R)-2-aminobutanenitrile;sulfuric acid
CID 87509392
2-selanylbutanenitrile
CID 175358380
sodium 2-methylbutanenitrile
CID 23346888
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
butane;cyano-hydroxy-oxophosphanium
CID 87283641
1-hydroxypropyl(trimethyl)phosphanium
CID 175448863
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
2-isocyanatobutanenitrile
CID 82885610

Frequently Asked Questions

What is the IUPAC name of 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium?
The IUPAC name of 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium (CID 175073064) is 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium.
What is the SMILES notation for 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium?
The canonical SMILES for 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium is CCC(C#N)[P+](=O)C(C)O.
What is the InChIKey of 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium?
The InChIKey is UVYMPEFCJWMJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2P/c1-3-6(4-7)10(9)5(2)8/h5-6,8H,3H2,1-2H3/q+1.
What are the key properties of 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium?
1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium has a molecular weight of 160.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanopropyl-(1-hydroxyethyl)-oxophosphanium is sourced from PubChem (CID 175073064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).