1-ethanimidoyl-3-methylurea

C4H9N3O — CID 152774406

IUPAC1-ethanimidoyl-3-methylurea
SMILES[H]/N=C(\C)NC(=O)NC
InChIInChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyIVFWGKAOBUOQJF-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.09
Rot. Bonds

About 1-ethanimidoyl-3-methylurea

1-ethanimidoyl-3-methylurea (PubChem CID 152774406) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 1-ethanimidoyl-3-methylurea.

Molecular Properties

Compound Name1-ethanimidoyl-3-methylurea
PubChem CID152774406
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name1-ethanimidoyl-3-methylurea
SMILES[H]/N=C(\C)NC(=O)NC
InChIInChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyIVFWGKAOBUOQJF-UHFFFAOYSA-N
XLogP-0.09
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043
CID 159040973
CID 159040973
methyl 2-(methylamino)-2-oxoethanimidate
CID 19391257
carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
potassium;hydride;N-methylacetamide
CID 173418413
ethane;methane;N-methylacetamide
CID 159401147
formaldehyde;N-methylacetamide
CID 159490973

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-3-methylurea?
The IUPAC name of 1-ethanimidoyl-3-methylurea (CID 152774406) is 1-ethanimidoyl-3-methylurea.
What is the SMILES notation for 1-ethanimidoyl-3-methylurea?
The canonical SMILES for 1-ethanimidoyl-3-methylurea is [H]/N=C(\C)NC(=O)NC.
What is the InChIKey of 1-ethanimidoyl-3-methylurea?
The InChIKey is IVFWGKAOBUOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8).
What are the key properties of 1-ethanimidoyl-3-methylurea?
1-ethanimidoyl-3-methylurea has a molecular weight of 115.14 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-3-methylurea is sourced from PubChem (CID 152774406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).