N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide

C4H7IN2 — CID 89085144

IUPACN'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide
SMILESCC(=C/I)/N=C/N
InChIInChI=1S/C4H7IN2/c1-4(2-5)7-3-6/h2-3H,1H3,(H2,6,7)/b4-2-
InChIKeyZEKGMWZGVHYAEP-RQOWECAXSA-N
MW210.02 g/mol
LogP1.27
Rot. Bonds1

About N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide

N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide (PubChem CID 89085144) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide
PubChem CID89085144
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC NameN'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide
SMILESCC(=C/I)/N=C/N
InChIInChI=1S/C4H7IN2/c1-4(2-5)7-3-6/h2-3H,1H3,(H2,6,7)/b4-2-
InChIKeyZEKGMWZGVHYAEP-RQOWECAXSA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide (CID 89085144) is N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide is CC(=C/I)/N=C/N.
What is the InChIKey of N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide?
The InChIKey is ZEKGMWZGVHYAEP-RQOWECAXSA-N. The full InChI is InChI=1S/C4H7IN2/c1-4(2-5)7-3-6/h2-3H,1H3,(H2,6,7)/b4-2-.
What are the key properties of N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide?
N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide has a molecular weight of 210.02 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-iodoprop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 89085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).