1,1-bis(ethenyl)guanidine

C5H9N3 — CID 174821814

IUPAC1,1-bis(ethenyl)guanidine
SMILES[H]/N=C(\N)N(C=C)C=C
InChIInChI=1S/C5H9N3/c1-3-8(4-2)5(6)7/h3-4H,1-2H2,(H3,6,7)
InChIKeyXRJYFUQDXYMYHQ-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.47
Rot. Bonds2

About 1,1-bis(ethenyl)guanidine

1,1-bis(ethenyl)guanidine (PubChem CID 174821814) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,1-bis(ethenyl)guanidine.

Molecular Properties

Compound Name1,1-bis(ethenyl)guanidine
PubChem CID174821814
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,1-bis(ethenyl)guanidine
SMILES[H]/N=C(\N)N(C=C)C=C
InChIInChI=1S/C5H9N3/c1-3-8(4-2)5(6)7/h3-4H,1-2H2,(H3,6,7)
InChIKeyXRJYFUQDXYMYHQ-UHFFFAOYSA-N
XLogP0.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.47
H-Bond Donors ≤ 52
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 1,1-bis(ethenyl)guanidine?
The IUPAC name of 1,1-bis(ethenyl)guanidine (CID 174821814) is 1,1-bis(ethenyl)guanidine.
What is the SMILES notation for 1,1-bis(ethenyl)guanidine?
The canonical SMILES for 1,1-bis(ethenyl)guanidine is [H]/N=C(\N)N(C=C)C=C.
What is the InChIKey of 1,1-bis(ethenyl)guanidine?
The InChIKey is XRJYFUQDXYMYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-8(4-2)5(6)7/h3-4H,1-2H2,(H3,6,7).
What are the key properties of 1,1-bis(ethenyl)guanidine?
1,1-bis(ethenyl)guanidine has a molecular weight of 111.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenyl)guanidine is sourced from PubChem (CID 174821814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).