2-ethenyl-1-methylideneguanidine

C4H7N3 — CID 91490843

IUPAC2-ethenyl-1-methylideneguanidine
SMILESC=C/N=C(/N)N=C
InChIInChI=1S/C4H7N3/c1-3-7-4(5)6-2/h3H,1-2H2,(H2,5,7)
InChIKeyNOIPSQVGVFRYCM-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.15
Rot. Bonds1

About 2-ethenyl-1-methylideneguanidine

2-ethenyl-1-methylideneguanidine (PubChem CID 91490843) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-ethenyl-1-methylideneguanidine.

Molecular Properties

Compound Name2-ethenyl-1-methylideneguanidine
PubChem CID91490843
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name2-ethenyl-1-methylideneguanidine
SMILESC=C/N=C(/N)N=C
InChIInChI=1S/C4H7N3/c1-3-7-4(5)6-2/h3H,1-2H2,(H2,5,7)
InChIKeyNOIPSQVGVFRYCM-UHFFFAOYSA-N
XLogP0.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.15
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 2-ethenyl-1-methylideneguanidine?
The IUPAC name of 2-ethenyl-1-methylideneguanidine (CID 91490843) is 2-ethenyl-1-methylideneguanidine.
What is the SMILES notation for 2-ethenyl-1-methylideneguanidine?
The canonical SMILES for 2-ethenyl-1-methylideneguanidine is C=C/N=C(/N)N=C.
What is the InChIKey of 2-ethenyl-1-methylideneguanidine?
The InChIKey is NOIPSQVGVFRYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-3-7-4(5)6-2/h3H,1-2H2,(H2,5,7).
What are the key properties of 2-ethenyl-1-methylideneguanidine?
2-ethenyl-1-methylideneguanidine has a molecular weight of 97.12 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylideneguanidine is sourced from PubChem (CID 91490843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).