butane;cyano-hydroxy-oxophosphanium

C5H11NO2P+ — CID 87283641

IUPACbutane;cyano-hydroxy-oxophosphanium
SMILESCCCC.N#C[P+](=O)O
InChIInChI=1S/C4H10.CNO2P/c1-3-4-2;2-1-5(3)4/h3-4H2,1-2H3;/p+1
InChIKeyWVBZLJJYXDEQQT-UHFFFAOYSA-O
MW148.12 g/mol
LogP2.01
Rot. Bonds1

About butane;cyano-hydroxy-oxophosphanium

butane;cyano-hydroxy-oxophosphanium (PubChem CID 87283641) has the molecular formula C5H11NO2P+ and a molecular weight of 148.12 g/mol. Its IUPAC name is butane;cyano-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;cyano-hydroxy-oxophosphanium
PubChem CID87283641
Molecular FormulaC5H11NO2P+
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Namebutane;cyano-hydroxy-oxophosphanium
SMILESCCCC.N#C[P+](=O)O
InChIInChI=1S/C4H10.CNO2P/c1-3-4-2;2-1-5(3)4/h3-4H2,1-2H3;/p+1
InChIKeyWVBZLJJYXDEQQT-UHFFFAOYSA-O
XLogP2.01
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;cyano-hydroxy-oxophosphanium?
The IUPAC name of butane;cyano-hydroxy-oxophosphanium (CID 87283641) is butane;cyano-hydroxy-oxophosphanium.
What is the SMILES notation for butane;cyano-hydroxy-oxophosphanium?
The canonical SMILES for butane;cyano-hydroxy-oxophosphanium is CCCC.N#C[P+](=O)O.
What is the InChIKey of butane;cyano-hydroxy-oxophosphanium?
The InChIKey is WVBZLJJYXDEQQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10.CNO2P/c1-3-4-2;2-1-5(3)4/h3-4H2,1-2H3;/p+1.
What are the key properties of butane;cyano-hydroxy-oxophosphanium?
butane;cyano-hydroxy-oxophosphanium has a molecular weight of 148.12 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyano-hydroxy-oxophosphanium is sourced from PubChem (CID 87283641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).