1-ethenyl-3-methyl-1-(methyliminomethyl)urea

C6H11N3O — CID 177188871

IUPAC1-ethenyl-3-methyl-1-(methyliminomethyl)urea
SMILESC=CN(/C=N/C)C(=O)NC
InChIInChI=1S/C6H11N3O/c1-4-9(5-7-2)6(10)8-3/h4-5H,1H2,2-3H3,(H,8,10)/b7-5+
InChIKeyCURMCABVBZSNHP-FNORWQNLSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About 1-ethenyl-3-methyl-1-(methyliminomethyl)urea

1-ethenyl-3-methyl-1-(methyliminomethyl)urea (PubChem CID 177188871) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-1-(methyliminomethyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-methyl-1-(methyliminomethyl)urea
PubChem CID177188871
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-ethenyl-3-methyl-1-(methyliminomethyl)urea
SMILESC=CN(/C=N/C)C(=O)NC
InChIInChI=1S/C6H11N3O/c1-4-9(5-7-2)6(10)8-3/h4-5H,1H2,2-3H3,(H,8,10)/b7-5+
InChIKeyCURMCABVBZSNHP-FNORWQNLSA-N
XLogP0.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-1-(methyliminomethyl)urea?
The IUPAC name of 1-ethenyl-3-methyl-1-(methyliminomethyl)urea (CID 177188871) is 1-ethenyl-3-methyl-1-(methyliminomethyl)urea.
What is the SMILES notation for 1-ethenyl-3-methyl-1-(methyliminomethyl)urea?
The canonical SMILES for 1-ethenyl-3-methyl-1-(methyliminomethyl)urea is C=CN(/C=N/C)C(=O)NC.
What is the InChIKey of 1-ethenyl-3-methyl-1-(methyliminomethyl)urea?
The InChIKey is CURMCABVBZSNHP-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-9(5-7-2)6(10)8-3/h4-5H,1H2,2-3H3,(H,8,10)/b7-5+.
What are the key properties of 1-ethenyl-3-methyl-1-(methyliminomethyl)urea?
1-ethenyl-3-methyl-1-(methyliminomethyl)urea has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-1-(methyliminomethyl)urea is sourced from PubChem (CID 177188871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).