N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide

C6H9IN2 — CID 90337312

IUPACN'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide
SMILESC=C(/C=C\CI)/N=C/N
InChIInChI=1S/C6H9IN2/c1-6(9-5-8)3-2-4-7/h2-3,5H,1,4H2,(H2,8,9)/b3-2-
InChIKeyGWYJHOMGBFQHEE-IHWYPQMZSA-N
MW236.06 g/mol
LogP1.48
Rot. Bonds3

About N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide

N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide (PubChem CID 90337312) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide
PubChem CID90337312
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC NameN'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide
SMILESC=C(/C=C\CI)/N=C/N
InChIInChI=1S/C6H9IN2/c1-6(9-5-8)3-2-4-7/h2-3,5H,1,4H2,(H2,8,9)/b3-2-
InChIKeyGWYJHOMGBFQHEE-IHWYPQMZSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide (CID 90337312) is N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide is C=C(/C=C\CI)/N=C/N.
What is the InChIKey of N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide?
The InChIKey is GWYJHOMGBFQHEE-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H9IN2/c1-6(9-5-8)3-2-4-7/h2-3,5H,1,4H2,(H2,8,9)/b3-2-.
What are the key properties of N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide?
N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide has a molecular weight of 236.06 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide is sourced from PubChem (CID 90337312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).