1-methyl-3-methyliodanuidylurea

C3H8IN2O- — CID 147358367

IUPAC1-methyl-3-methyliodanuidylurea
SMILESCNC(=O)N[I-]C
InChIInChI=1S/C3H8IN2O/c1-4-6-3(7)5-2/h1-2H3,(H2,5,6,7)/q-1
InChIKeyLNCTZMVKZBPURD-UHFFFAOYSA-N
MW215.01 g/mol
LogP-3.45
Rot. Bonds1

About 1-methyl-3-methyliodanuidylurea

1-methyl-3-methyliodanuidylurea (PubChem CID 147358367) has the molecular formula C3H8IN2O- and a molecular weight of 215.01 g/mol. Its IUPAC name is 1-methyl-3-methyliodanuidylurea.

Molecular Properties

Compound Name1-methyl-3-methyliodanuidylurea
PubChem CID147358367
Molecular FormulaC3H8IN2O-
Molecular Weight215.01 g/mol
Exact Mass214.97
IUPAC Name1-methyl-3-methyliodanuidylurea
SMILESCNC(=O)N[I-]C
InChIInChI=1S/C3H8IN2O/c1-4-6-3(7)5-2/h1-2H3,(H2,5,6,7)/q-1
InChIKeyLNCTZMVKZBPURD-UHFFFAOYSA-N
XLogP-3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
N-methyliodanuidylacetamide
CID 147139954
2-hydroxy-N-methyliodanuidylacetamide
CID 149495843
carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
1-methyl-3-silylurea
CID 174680275
1,3-dimethylurea;prop-1-ene
CID 160798014
copper;methylcarbamothioic S-acid
CID 161427442
1-(methylcarbamoylamino)ethyl-oxophosphanium
CID 173454596
1-(dimethylamino)-3-methylurea
CID 11819071
1-acetamido-3-methylurea
CID 22082406
N,N'-dimethylbut-2-enediamide
CID 54344026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methyliodanuidylurea?
The IUPAC name of 1-methyl-3-methyliodanuidylurea (CID 147358367) is 1-methyl-3-methyliodanuidylurea.
What is the SMILES notation for 1-methyl-3-methyliodanuidylurea?
The canonical SMILES for 1-methyl-3-methyliodanuidylurea is CNC(=O)N[I-]C.
What is the InChIKey of 1-methyl-3-methyliodanuidylurea?
The InChIKey is LNCTZMVKZBPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN2O/c1-4-6-3(7)5-2/h1-2H3,(H2,5,6,7)/q-1.
What are the key properties of 1-methyl-3-methyliodanuidylurea?
1-methyl-3-methyliodanuidylurea has a molecular weight of 215.01 g/mol, XLogP of -3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methyliodanuidylurea is sourced from PubChem (CID 147358367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).