methoxyiminomethylurea

C3H7N3O2 — CID 137107007

IUPACmethoxyiminomethylurea
SMILESCON=CNC(N)=O
InChIInChI=1S/C3H7N3O2/c1-8-6-2-5-3(4)7/h2H,1H3,(H3,4,5,6,7)
InChIKeyKWJSIZOACUFYBK-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.76
Rot. Bonds2

About methoxyiminomethylurea

methoxyiminomethylurea (PubChem CID 137107007) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is methoxyiminomethylurea.

Molecular Properties

Compound Namemethoxyiminomethylurea
PubChem CID137107007
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Namemethoxyiminomethylurea
SMILESCON=CNC(N)=O
InChIInChI=1S/C3H7N3O2/c1-8-6-2-5-3(4)7/h2H,1H3,(H3,4,5,6,7)
InChIKeyKWJSIZOACUFYBK-UHFFFAOYSA-N
XLogP-0.76
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 166778270
N-[(E)-methoxyiminomethyl]-2,2-dimethylpropanamide
CID 146312727
N-[(carbamoylamino)methylidene]formamide
CID 91528299
ethane;N-[(E)-methoxyiminomethyl]formamide
CID 144535993
(3S,4E)-4-methoxyimino-3-(methylamino)butanoic acid
CID 59947816
methylurea;ruthenium
CID 159209634
(2E)-2-methoxyiminoethanethioamide
CID 18957928
N-carbamoylformamide;hydrate
CID 174813959
4-benzoyl-N-[(E)-methoxyiminomethyl]-1H-pyrrole-2-carboxamide
CID 135850657
methyl boranylformate
CID 4077688
3-(carbamoylamino)-2-methylprop-2-enamide
CID 87367732
(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
CID 174478351

Frequently Asked Questions

What is the IUPAC name of methoxyiminomethylurea?
The IUPAC name of methoxyiminomethylurea (CID 137107007) is methoxyiminomethylurea.
What is the SMILES notation for methoxyiminomethylurea?
The canonical SMILES for methoxyiminomethylurea is CON=CNC(N)=O.
What is the InChIKey of methoxyiminomethylurea?
The InChIKey is KWJSIZOACUFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c1-8-6-2-5-3(4)7/h2H,1H3,(H3,4,5,6,7).
What are the key properties of methoxyiminomethylurea?
methoxyiminomethylurea has a molecular weight of 117.11 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyiminomethylurea is sourced from PubChem (CID 137107007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).