N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide

C7H13IN2 — CID 118019602

IUPACN'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide
SMILESC/C=C(\N=C(/C)N)C(C)I
InChIInChI=1S/C7H13IN2/c1-4-7(5(2)8)10-6(3)9/h4-5H,1-3H3,(H2,9,10)/b7-4-
InChIKeyHIFQSEIGBXNVBG-DAXSKMNVSA-N
MW252.10 g/mol
LogP2.09
Rot. Bonds2

About N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide

N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide (PubChem CID 118019602) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide
PubChem CID118019602
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC NameN'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide
SMILESC/C=C(\N=C(/C)N)C(C)I
InChIInChI=1S/C7H13IN2/c1-4-7(5(2)8)10-6(3)9/h4-5H,1-3H3,(H2,9,10)/b7-4-
InChIKeyHIFQSEIGBXNVBG-DAXSKMNVSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide?
The IUPAC name of N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide (CID 118019602) is N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide?
The canonical SMILES for N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide is C/C=C(\N=C(/C)N)C(C)I.
What is the InChIKey of N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide?
The InChIKey is HIFQSEIGBXNVBG-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13IN2/c1-4-7(5(2)8)10-6(3)9/h4-5H,1-3H3,(H2,9,10)/b7-4-.
What are the key properties of N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide?
N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide has a molecular weight of 252.10 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-iodopent-2-en-3-yl]ethanimidamide is sourced from PubChem (CID 118019602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).