ethyl-imidazol-1-yl-methylphosphane

C6H11N2P — CID 166806437

IUPACethyl-imidazol-1-yl-methylphosphane
SMILESCCP(C)n1ccnc1
InChIInChI=1S/C6H11N2P/c1-3-9(2)8-5-4-7-6-8/h4-6H,3H2,1-2H3
InChIKeyPEUDCJPQJZWSJL-UHFFFAOYSA-N
MW142.14 g/mol
LogP1.78
Rot. Bonds2

About ethyl-imidazol-1-yl-methylphosphane

ethyl-imidazol-1-yl-methylphosphane (PubChem CID 166806437) has the molecular formula C6H11N2P and a molecular weight of 142.14 g/mol. Its IUPAC name is ethyl-imidazol-1-yl-methylphosphane.

Molecular Properties

Compound Nameethyl-imidazol-1-yl-methylphosphane
PubChem CID166806437
Molecular FormulaC6H11N2P
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Nameethyl-imidazol-1-yl-methylphosphane
SMILESCCP(C)n1ccnc1
InChIInChI=1S/C6H11N2P/c1-3-9(2)8-5-4-7-6-8/h4-6H,3H2,1-2H3
InChIKeyPEUDCJPQJZWSJL-UHFFFAOYSA-N
XLogP1.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-imidazol-1-yl-methylphosphane?
The IUPAC name of ethyl-imidazol-1-yl-methylphosphane (CID 166806437) is ethyl-imidazol-1-yl-methylphosphane.
What is the SMILES notation for ethyl-imidazol-1-yl-methylphosphane?
The canonical SMILES for ethyl-imidazol-1-yl-methylphosphane is CCP(C)n1ccnc1.
What is the InChIKey of ethyl-imidazol-1-yl-methylphosphane?
The InChIKey is PEUDCJPQJZWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2P/c1-3-9(2)8-5-4-7-6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl-imidazol-1-yl-methylphosphane?
ethyl-imidazol-1-yl-methylphosphane has a molecular weight of 142.14 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imidazol-1-yl-methylphosphane is sourced from PubChem (CID 166806437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).