iodo (1Z)-N-imino-2-methylpropanehydrazonate

C4H8IN3O — CID 172986392

IUPACiodo (1Z)-N-imino-2-methylpropanehydrazonate
SMILES[H]/N=N/N=C(\OI)C(C)C
InChIInChI=1S/C4H8IN3O/c1-3(2)4(9-5)7-8-6/h3,6H,1-2H3/b7-4-,8-6+
InChIKeyWEYSBUVADPZCBP-ZJLRGQKUSA-N
MW241.03 g/mol
LogP2.35
Rot. Bonds2

About iodo (1Z)-N-imino-2-methylpropanehydrazonate

iodo (1Z)-N-imino-2-methylpropanehydrazonate (PubChem CID 172986392) has the molecular formula C4H8IN3O and a molecular weight of 241.03 g/mol. Its IUPAC name is iodo (1Z)-N-imino-2-methylpropanehydrazonate.

Molecular Properties

Compound Nameiodo (1Z)-N-imino-2-methylpropanehydrazonate
PubChem CID172986392
Molecular FormulaC4H8IN3O
Molecular Weight241.03 g/mol
Exact Mass240.97
IUPAC Nameiodo (1Z)-N-imino-2-methylpropanehydrazonate
SMILES[H]/N=N/N=C(\OI)C(C)C
InChIInChI=1S/C4H8IN3O/c1-3(2)4(9-5)7-8-6/h3,6H,1-2H3/b7-4-,8-6+
InChIKeyWEYSBUVADPZCBP-ZJLRGQKUSA-N
XLogP2.35
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 iodo (1Z)-N-imino-2-methylpropanehydrazonate?
The IUPAC name of iodo (1Z)-N-imino-2-methylpropanehydrazonate (CID 172986392) is iodo (1Z)-N-imino-2-methylpropanehydrazonate.
What is the SMILES notation for iodo (1Z)-N-imino-2-methylpropanehydrazonate?
The canonical SMILES for iodo (1Z)-N-imino-2-methylpropanehydrazonate is [H]/N=N/N=C(\OI)C(C)C.
What is the InChIKey of iodo (1Z)-N-imino-2-methylpropanehydrazonate?
The InChIKey is WEYSBUVADPZCBP-ZJLRGQKUSA-N. The full InChI is InChI=1S/C4H8IN3O/c1-3(2)4(9-5)7-8-6/h3,6H,1-2H3/b7-4-,8-6+.
What are the key properties of iodo (1Z)-N-imino-2-methylpropanehydrazonate?
iodo (1Z)-N-imino-2-methylpropanehydrazonate has a molecular weight of 241.03 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo (1Z)-N-imino-2-methylpropanehydrazonate is sourced from PubChem (CID 172986392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).