(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride

C8H19ClN2P+ — CID 175553448

IUPAC(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride
SMILESCC[N+]1(P(C)C)C=CN(C)C1.Cl
InChIInChI=1S/C8H18N2P.ClH/c1-5-10(11(3)4)7-6-9(2)8-10;/h6-7H,5,8H2,1-4H3;1H/q+1;
InChIKeyZMWMMRZFPDNECK-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.28
Rot. Bonds2

About (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride

(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride (PubChem CID 175553448) has the molecular formula C8H19ClN2P+ and a molecular weight of 209.68 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride
PubChem CID175553448
Molecular FormulaC8H19ClN2P+
Molecular Weight209.68 g/mol
Exact Mass209.10
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride
SMILESCC[N+]1(P(C)C)C=CN(C)C1.Cl
InChIInChI=1S/C8H18N2P.ClH/c1-5-10(11(3)4)7-6-9(2)8-10;/h6-7H,5,8H2,1-4H3;1H/q+1;
InChIKeyZMWMMRZFPDNECK-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride (CID 175553448) is (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride is CC[N+]1(P(C)C)C=CN(C)C1.Cl.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride?
The InChIKey is ZMWMMRZFPDNECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2P.ClH/c1-5-10(11(3)4)7-6-9(2)8-10;/h6-7H,5,8H2,1-4H3;1H/q+1;.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride?
(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)-dimethylphosphane;hydrochloride is sourced from PubChem (CID 175553448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).