1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea

C9H16N4O — CID 143394566

IUPAC1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea
SMILESC=CN(/C=N/C)C(=O)N(C)/C=C\NC
InChIInChI=1S/C9H16N4O/c1-5-13(8-11-3)9(14)12(4)7-6-10-2/h5-8,10H,1H2,2-4H3/b7-6-,11-8+
InChIKeyJUIRVSPULYMVSY-BQGCWICQSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds4

About 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea

1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea (PubChem CID 143394566) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea
PubChem CID143394566
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea
SMILESC=CN(/C=N/C)C(=O)N(C)/C=C\NC
InChIInChI=1S/C9H16N4O/c1-5-13(8-11-3)9(14)12(4)7-6-10-2/h5-8,10H,1H2,2-4H3/b7-6-,11-8+
InChIKeyJUIRVSPULYMVSY-BQGCWICQSA-N
XLogP0.83
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea?
The IUPAC name of 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea (CID 143394566) is 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea.
What is the SMILES notation for 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea?
The canonical SMILES for 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea is C=CN(/C=N/C)C(=O)N(C)/C=C\NC.
What is the InChIKey of 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea?
The InChIKey is JUIRVSPULYMVSY-BQGCWICQSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5-13(8-11-3)9(14)12(4)7-6-10-2/h5-8,10H,1H2,2-4H3/b7-6-,11-8+.
What are the key properties of 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea?
1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea has a molecular weight of 196.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-3-[(Z)-2-(methylamino)ethenyl]-1-(methyliminomethyl)urea is sourced from PubChem (CID 143394566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).