sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride

C5H11NNaO3P — CID 173083185

IUPACsodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
SMILESCCO/N=C(/C)COP=O.[H-].[Na+]
InChIInChI=1S/C5H10NO3P.Na.H/c1-3-8-6-5(2)4-9-10-7;;/h3-4H2,1-2H3;;/q;+1;-1/b6-5-;;
InChIKeySKDGTQIWRKPJKR-XNOMRPDFSA-N
MW187.11 g/mol
LogP-1.26
Rot. Bonds5

About sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride

sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride (PubChem CID 173083185) has the molecular formula C5H11NNaO3P and a molecular weight of 187.11 g/mol. Its IUPAC name is sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride.

Molecular Properties

Compound Namesodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
PubChem CID173083185
Molecular FormulaC5H11NNaO3P
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Namesodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
SMILESCCO/N=C(/C)COP=O.[H-].[Na+]
InChIInChI=1S/C5H10NO3P.Na.H/c1-3-8-6-5(2)4-9-10-7;;/h3-4H2,1-2H3;;/q;+1;-1/b6-5-;;
InChIKeySKDGTQIWRKPJKR-XNOMRPDFSA-N
XLogP-1.26
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-ethoxybutan-2-imine
CID 54202913
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
N-ethoxyhexan-2-imine
CID 86028505
ethane;(Z)-N-ethoxypent-4-yn-2-imine
CID 142624885
1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine
CID 54018797
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
2-(pentan-2-ylideneamino)oxyacetic acid
CID 77013180
acetic acid;1,1-dibromo-N-ethoxymethanimine
CID 175187018
oxalonitrile;1-phosphorosooxyethane
CID 174488191
N'-ethoxy-N,N-diiodoethanimidamide
CID 139453376
1-(2,4-dichlorophenyl)-N-ethoxypropan-2-imine
CID 76787512
1-ethylsulfinyl-N-methylpropan-2-imine
CID 171553270

Frequently Asked Questions

What is the IUPAC name of sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride?
The IUPAC name of sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride (CID 173083185) is sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride.
What is the SMILES notation for sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride?
The canonical SMILES for sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride is CCO/N=C(/C)COP=O.[H-].[Na+].
What is the InChIKey of sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride?
The InChIKey is SKDGTQIWRKPJKR-XNOMRPDFSA-N. The full InChI is InChI=1S/C5H10NO3P.Na.H/c1-3-8-6-5(2)4-9-10-7;;/h3-4H2,1-2H3;;/q;+1;-1/b6-5-;;.
What are the key properties of sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride?
sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride has a molecular weight of 187.11 g/mol, XLogP of -1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride is sourced from PubChem (CID 173083185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).