2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane

C7H17NO3P+ — CID 88613126

IUPAC2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
SMILESC=C(N)CO[P+](=O)O.CCCC
InChIInChI=1S/C4H10.C3H6NO3P/c1-3-4-2;1-3(4)2-7-8(5)6/h3-4H2,1-2H3;1-2,4H2/p+1
InChIKeyRPLDQFIOUXQXKE-UHFFFAOYSA-O
MW194.19 g/mol
LogP1.93
Rot. Bonds4

About 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane

2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane (PubChem CID 88613126) has the molecular formula C7H17NO3P+ and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane.

Molecular Properties

Compound Name2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
PubChem CID88613126
Molecular FormulaC7H17NO3P+
Molecular Weight194.19 g/mol
Exact Mass194.09
IUPAC Name2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
SMILESC=C(N)CO[P+](=O)O.CCCC
InChIInChI=1S/C4H10.C3H6NO3P/c1-3-4-2;1-3(4)2-7-8(5)6/h3-4H2,1-2H3;1-2,4H2/p+1
InChIKeyRPLDQFIOUXQXKE-UHFFFAOYSA-O
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
CID 87841333
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
CID 118588536
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
CID 87364620
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925

Frequently Asked Questions

What is the IUPAC name of 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane?
The IUPAC name of 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane (CID 88613126) is 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane.
What is the SMILES notation for 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane?
The canonical SMILES for 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane is C=C(N)CO[P+](=O)O.CCCC.
What is the InChIKey of 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane?
The InChIKey is RPLDQFIOUXQXKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10.C3H6NO3P/c1-3-4-2;1-3(4)2-7-8(5)6/h3-4H2,1-2H3;1-2,4H2/p+1.
What are the key properties of 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane?
2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane has a molecular weight of 194.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane is sourced from PubChem (CID 88613126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).