1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium

C7H17N2O3P+2 — CID 157370817

IUPAC1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
SMILESCCn1cc[n+](C)c1.C[P+](O)(O)O
InChIInChI=1S/C6H11N2.CH6O3P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;2-4H,1H3/q2*+1
InChIKeySNHJAEVNZITXFG-UHFFFAOYSA-N
MW208.20 g/mol
LogP-0.31
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium

1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium (PubChem CID 157370817) has the molecular formula C7H17N2O3P+2 and a molecular weight of 208.20 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
PubChem CID157370817
Molecular FormulaC7H17N2O3P+2
Molecular Weight208.20 g/mol
Exact Mass208.10
IUPAC Name1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
SMILESCCn1cc[n+](C)c1.C[P+](O)(O)O
InChIInChI=1S/C6H11N2.CH6O3P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;2-4H,1H3/q2*+1
InChIKeySNHJAEVNZITXFG-UHFFFAOYSA-N
XLogP-0.31
TPSA69.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
CID 87529717
CID 87529717
(2S)-2-aminopropanoic acid;1-ethyl-3-methylimidazol-3-ium
CID 87299363
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
CID 139449922
1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate;sulfur monoxide
CID 160555580
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium (CID 157370817) is 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium is CCn1cc[n+](C)c1.C[P+](O)(O)O.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium?
The InChIKey is SNHJAEVNZITXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.CH6O3P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;2-4H,1H3/q2*+1.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium?
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium has a molecular weight of 208.20 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium is sourced from PubChem (CID 157370817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).