1-ethenyl-2-methyl-3-methylideneguanidine

C5H9N3 — CID 123258878

IUPAC1-ethenyl-2-methyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/C
InChIInChI=1S/C5H9N3/c1-4-8-5(6-2)7-3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyKFTOJUZKNYJIHF-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.41
Rot. Bonds1

About 1-ethenyl-2-methyl-3-methylideneguanidine

1-ethenyl-2-methyl-3-methylideneguanidine (PubChem CID 123258878) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-3-methylideneguanidine.

Molecular Properties

Compound Name1-ethenyl-2-methyl-3-methylideneguanidine
PubChem CID123258878
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-ethenyl-2-methyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/C
InChIInChI=1S/C5H9N3/c1-4-8-5(6-2)7-3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyKFTOJUZKNYJIHF-UHFFFAOYSA-N
XLogP0.41
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2-methyl-3-methylideneguanidine?
The IUPAC name of 1-ethenyl-2-methyl-3-methylideneguanidine (CID 123258878) is 1-ethenyl-2-methyl-3-methylideneguanidine.
What is the SMILES notation for 1-ethenyl-2-methyl-3-methylideneguanidine?
The canonical SMILES for 1-ethenyl-2-methyl-3-methylideneguanidine is C=CN/C(N=C)=N/C.
What is the InChIKey of 1-ethenyl-2-methyl-3-methylideneguanidine?
The InChIKey is KFTOJUZKNYJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-8-5(6-2)7-3/h4H,1-2H2,3H3,(H,7,8).
What are the key properties of 1-ethenyl-2-methyl-3-methylideneguanidine?
1-ethenyl-2-methyl-3-methylideneguanidine has a molecular weight of 111.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-3-methylideneguanidine is sourced from PubChem (CID 123258878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).