4-imino-3-iodobut-1-en-2-amine

C4H7IN2 — CID 129077114

IUPAC4-imino-3-iodobut-1-en-2-amine
SMILES[H]/N=C/C(I)C(=C)N
InChIInChI=1S/C4H7IN2/c1-3(7)4(5)2-6/h2,4,6H,1,7H2/b6-2+
InChIKeyLCCUAXCACQJDOC-QHHAFSJGSA-N
MW210.02 g/mol
LogP0.91
Rot. Bonds2

About 4-imino-3-iodobut-1-en-2-amine

4-imino-3-iodobut-1-en-2-amine (PubChem CID 129077114) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is 4-imino-3-iodobut-1-en-2-amine.

Molecular Properties

Compound Name4-imino-3-iodobut-1-en-2-amine
PubChem CID129077114
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC Name4-imino-3-iodobut-1-en-2-amine
SMILES[H]/N=C/C(I)C(=C)N
InChIInChI=1S/C4H7IN2/c1-3(7)4(5)2-6/h2,4,6H,1,7H2/b6-2+
InChIKeyLCCUAXCACQJDOC-QHHAFSJGSA-N
XLogP0.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 4-imino-3-iodobut-1-en-2-amine?
The IUPAC name of 4-imino-3-iodobut-1-en-2-amine (CID 129077114) is 4-imino-3-iodobut-1-en-2-amine.
What is the SMILES notation for 4-imino-3-iodobut-1-en-2-amine?
The canonical SMILES for 4-imino-3-iodobut-1-en-2-amine is [H]/N=C/C(I)C(=C)N.
What is the InChIKey of 4-imino-3-iodobut-1-en-2-amine?
The InChIKey is LCCUAXCACQJDOC-QHHAFSJGSA-N. The full InChI is InChI=1S/C4H7IN2/c1-3(7)4(5)2-6/h2,4,6H,1,7H2/b6-2+.
What are the key properties of 4-imino-3-iodobut-1-en-2-amine?
4-imino-3-iodobut-1-en-2-amine has a molecular weight of 210.02 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-iodobut-1-en-2-amine is sourced from PubChem (CID 129077114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).