sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium

C7H12NNaO3P+ — CID 170161405

IUPACsodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium
SMILESC=CCN(CC=C)CO[P+](=O)[O-].[Na+]
InChIInChI=1S/C7H12NO3P.Na/c1-3-5-8(6-4-2)7-11-12(9)10;/h3-4H,1-2,5-7H2;/q;+1
InChIKeyARNHSRNBORQYHJ-UHFFFAOYSA-N
MW212.14 g/mol
LogP-2.34
Rot. Bonds7

About sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium

sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium (PubChem CID 170161405) has the molecular formula C7H12NNaO3P+ and a molecular weight of 212.14 g/mol. Its IUPAC name is sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium
PubChem CID170161405
Molecular FormulaC7H12NNaO3P+
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Namesodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium
SMILESC=CCN(CC=C)CO[P+](=O)[O-].[Na+]
InChIInChI=1S/C7H12NO3P.Na/c1-3-5-8(6-4-2)7-11-12(9)10;/h3-4H,1-2,5-7H2;/q;+1
InChIKeyARNHSRNBORQYHJ-UHFFFAOYSA-N
XLogP-2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
CID 87084309
CID 87084309
[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium
CID 102196561
bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium
CID 88831473
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
dioxido(oxo)phosphanium;prop-2-ene-1-thiol
CID 23361438
[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
CID 172813445
3-[bis(prop-2-enyl)amino]propylsulfinyloxymethyl 3-[bis(prop-2-enyl)amino]propane-1-sulfinate
CID 122513584
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090

Frequently Asked Questions

What is the IUPAC name of sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium?
The IUPAC name of sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium (CID 170161405) is sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium.
What is the SMILES notation for sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium?
The canonical SMILES for sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium is C=CCN(CC=C)CO[P+](=O)[O-].[Na+].
What is the InChIKey of sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium?
The InChIKey is ARNHSRNBORQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO3P.Na/c1-3-5-8(6-4-2)7-11-12(9)10;/h3-4H,1-2,5-7H2;/q;+1.
What are the key properties of sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium?
sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium has a molecular weight of 212.14 g/mol, XLogP of -2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [bis(prop-2-enyl)amino]methoxy-oxido-oxophosphanium is sourced from PubChem (CID 170161405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).