sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium

C7H13NNaO3P — CID 102196561

IUPACsodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium
SMILESC=CCN(CC=C)C[P+]([O-])([O-])O.[Na+]
InChIInChI=1S/C7H14NO3P.Na/c1-3-5-8(6-4-2)7-12(9,10)11;/h3-4H,1-2,5-7H2,(H2,9,10,11);/q;+1/p-1
InChIKeyMKFBADWXTCQCGF-UHFFFAOYSA-M
MW213.15 g/mol
LogP-3.90
Rot. Bonds6

About sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium

sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium (PubChem CID 102196561) has the molecular formula C7H13NNaO3P and a molecular weight of 213.15 g/mol. Its IUPAC name is sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium.

Molecular Properties

Compound Namesodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium
PubChem CID102196561
Molecular FormulaC7H13NNaO3P
Molecular Weight213.15 g/mol
Exact Mass213.05
IUPAC Namesodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium
SMILESC=CCN(CC=C)C[P+]([O-])([O-])O.[Na+]
InChIInChI=1S/C7H14NO3P.Na/c1-3-5-8(6-4-2)7-12(9,10)11;/h3-4H,1-2,5-7H2,(H2,9,10,11);/q;+1/p-1
InChIKeyMKFBADWXTCQCGF-UHFFFAOYSA-M
XLogP-3.90
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-3.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate
CID 59721634
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
(2S,3R)-3-methyl-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
CID 28596727
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377
(2S)-1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 40560868
1-(1,3-benzodioxol-5-yl)-2-[bis(prop-2-enyl)amino]ethanol
CID 82216448
1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 3397368
CID 87084309
CID 87084309
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121

Frequently Asked Questions

What is the IUPAC name of sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium?
The IUPAC name of sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium (CID 102196561) is sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium.
What is the SMILES notation for sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium?
The canonical SMILES for sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium is C=CCN(CC=C)C[P+]([O-])([O-])O.[Na+].
What is the InChIKey of sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium?
The InChIKey is MKFBADWXTCQCGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14NO3P.Na/c1-3-5-8(6-4-2)7-12(9,10)11;/h3-4H,1-2,5-7H2,(H2,9,10,11);/q;+1/p-1.
What are the key properties of sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium?
sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium has a molecular weight of 213.15 g/mol, XLogP of -3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [bis(prop-2-enyl)amino]methyl-hydroxy-dioxidophosphanium is sourced from PubChem (CID 102196561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).