N-prop-1-en-2-ylmethanimidoyl iodide

C4H6IN — CID 118401632

IUPACN-prop-1-en-2-ylmethanimidoyl iodide
SMILESC=C(C)/N=C/I
InChIInChI=1S/C4H6IN/c1-4(2)6-3-5/h3H,1H2,2H3/b6-3+
InChIKeyMUAUDISEUFSYND-ZZXKWVIFSA-N
MW195.00 g/mol
LogP1.98
Rot. Bonds1

About N-prop-1-en-2-ylmethanimidoyl iodide

N-prop-1-en-2-ylmethanimidoyl iodide (PubChem CID 118401632) has the molecular formula C4H6IN and a molecular weight of 195.00 g/mol. Its IUPAC name is N-prop-1-en-2-ylmethanimidoyl iodide.

Molecular Properties

Compound NameN-prop-1-en-2-ylmethanimidoyl iodide
PubChem CID118401632
Molecular FormulaC4H6IN
Molecular Weight195.00 g/mol
Exact Mass194.95
IUPAC NameN-prop-1-en-2-ylmethanimidoyl iodide
SMILESC=C(C)/N=C/I
InChIInChI=1S/C4H6IN/c1-4(2)6-3-5/h3H,1H2,2H3/b6-3+
InChIKeyMUAUDISEUFSYND-ZZXKWVIFSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 51.98
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-prop-1-en-2-ylmethanimidoyl iodide?
The IUPAC name of N-prop-1-en-2-ylmethanimidoyl iodide (CID 118401632) is N-prop-1-en-2-ylmethanimidoyl iodide.
What is the SMILES notation for N-prop-1-en-2-ylmethanimidoyl iodide?
The canonical SMILES for N-prop-1-en-2-ylmethanimidoyl iodide is C=C(C)/N=C/I.
What is the InChIKey of N-prop-1-en-2-ylmethanimidoyl iodide?
The InChIKey is MUAUDISEUFSYND-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H6IN/c1-4(2)6-3-5/h3H,1H2,2H3/b6-3+.
What are the key properties of N-prop-1-en-2-ylmethanimidoyl iodide?
N-prop-1-en-2-ylmethanimidoyl iodide has a molecular weight of 195.00 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylmethanimidoyl iodide is sourced from PubChem (CID 118401632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).