N-ethylpropanimidoyl iodide

C5H10IN — CID 134920122

IUPACN-ethylpropanimidoyl iodide
SMILESCC/N=C(\I)CC
InChIInChI=1S/C5H10IN/c1-3-5(6)7-4-2/h3-4H2,1-2H3/b7-5-
InChIKeyFHAGBQKBZFVRHI-ALCCZGGFSA-N
MW211.05 g/mol
LogP2.25
Rot. Bonds2

About N-ethylpropanimidoyl iodide

N-ethylpropanimidoyl iodide (PubChem CID 134920122) has the molecular formula C5H10IN and a molecular weight of 211.05 g/mol. Its IUPAC name is N-ethylpropanimidoyl iodide.

Molecular Properties

Compound NameN-ethylpropanimidoyl iodide
PubChem CID134920122
Molecular FormulaC5H10IN
Molecular Weight211.05 g/mol
Exact Mass210.99
IUPAC NameN-ethylpropanimidoyl iodide
SMILESCC/N=C(\I)CC
InChIInChI=1S/C5H10IN/c1-3-5(6)7-4-2/h3-4H2,1-2H3/b7-5-
InChIKeyFHAGBQKBZFVRHI-ALCCZGGFSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylpropanimidoyl iodide?
The IUPAC name of N-ethylpropanimidoyl iodide (CID 134920122) is N-ethylpropanimidoyl iodide.
What is the SMILES notation for N-ethylpropanimidoyl iodide?
The canonical SMILES for N-ethylpropanimidoyl iodide is CC/N=C(\I)CC.
What is the InChIKey of N-ethylpropanimidoyl iodide?
The InChIKey is FHAGBQKBZFVRHI-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H10IN/c1-3-5(6)7-4-2/h3-4H2,1-2H3/b7-5-.
What are the key properties of N-ethylpropanimidoyl iodide?
N-ethylpropanimidoyl iodide has a molecular weight of 211.05 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropanimidoyl iodide is sourced from PubChem (CID 134920122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).