iodoform;methylimino(oxo)methane

C3H4I3NO — CID 123231601

IUPACiodoform;methylimino(oxo)methane
SMILESCN=C=O.IC(I)I
InChIInChI=1S/C2H3NO.CHI3/c1-3-2-4;2-1(3)4/h1H3;1H
InChIKeyLYTZDSARLXPMPJ-UHFFFAOYSA-N
MW450.78 g/mol
LogP2.53
Rot. Bonds

About iodoform;methylimino(oxo)methane

iodoform;methylimino(oxo)methane (PubChem CID 123231601) has the molecular formula C3H4I3NO and a molecular weight of 450.78 g/mol. Its IUPAC name is iodoform;methylimino(oxo)methane.

Molecular Properties

Compound Nameiodoform;methylimino(oxo)methane
PubChem CID123231601
Molecular FormulaC3H4I3NO
Molecular Weight450.78 g/mol
Exact Mass450.74
IUPAC Nameiodoform;methylimino(oxo)methane
SMILESCN=C=O.IC(I)I
InChIInChI=1S/C2H3NO.CHI3/c1-3-2-4;2-1(3)4/h1H3;1H
InChIKeyLYTZDSARLXPMPJ-UHFFFAOYSA-N
XLogP2.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
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'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

methylimino(oxo)methane;N-methylmethanamine
CID 172719912
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
methylimino(oxo)methane;propane-1,2,3-triol
CID 175123227
bis(cyclohexane);isocyanic acid;methane;methylimino(oxo)methane
CID 175397862
dimethoxy(methyl)silane;methylimino(oxo)methane
CID 159174466
methylimino(oxo)methane;thiolane
CID 174547179
methylcarbamic acid;methylimino(oxo)methane
CID 161055798
methylimino(oxo)methane;naphthalene
CID 161076109
methylimino(oxo)methane;methyl methanesulfonate
CID 87841952
N-methylcarbamoyl chloride;methylimino(oxo)methane
CID 162155810
bicyclo[3.1.0]hexa-1(6),2,4-triene;methylimino(oxo)methane
CID 19913971
2-iodo-1-isocyanato-3,3-dimethylbutane
CID 14875004

Frequently Asked Questions

What is the IUPAC name of iodoform;methylimino(oxo)methane?
The IUPAC name of iodoform;methylimino(oxo)methane (CID 123231601) is iodoform;methylimino(oxo)methane.
What is the SMILES notation for iodoform;methylimino(oxo)methane?
The canonical SMILES for iodoform;methylimino(oxo)methane is CN=C=O.IC(I)I.
What is the InChIKey of iodoform;methylimino(oxo)methane?
The InChIKey is LYTZDSARLXPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO.CHI3/c1-3-2-4;2-1(3)4/h1H3;1H.
What are the key properties of iodoform;methylimino(oxo)methane?
iodoform;methylimino(oxo)methane has a molecular weight of 450.78 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodoform;methylimino(oxo)methane is sourced from PubChem (CID 123231601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).