1-ethenyl-1-prop-2-enylguanidine

C6H11N3 — CID 88836888

IUPAC1-ethenyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(C=C)CC=C
InChIInChI=1S/C6H11N3/c1-3-5-9(4-2)6(7)8/h3-4H,1-2,5H2,(H3,7,8)
InChIKeyAIGPERZHYBJEOH-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.51
Rot. Bonds3

About 1-ethenyl-1-prop-2-enylguanidine

1-ethenyl-1-prop-2-enylguanidine (PubChem CID 88836888) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethenyl-1-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethenyl-1-prop-2-enylguanidine
PubChem CID88836888
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-ethenyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(C=C)CC=C
InChIInChI=1S/C6H11N3/c1-3-5-9(4-2)6(7)8/h3-4H,1-2,5H2,(H3,7,8)
InChIKeyAIGPERZHYBJEOH-UHFFFAOYSA-N
XLogP0.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-prop-2-enylguanidine?
The IUPAC name of 1-ethenyl-1-prop-2-enylguanidine (CID 88836888) is 1-ethenyl-1-prop-2-enylguanidine.
What is the SMILES notation for 1-ethenyl-1-prop-2-enylguanidine?
The canonical SMILES for 1-ethenyl-1-prop-2-enylguanidine is [H]/N=C(\N)N(C=C)CC=C.
What is the InChIKey of 1-ethenyl-1-prop-2-enylguanidine?
The InChIKey is AIGPERZHYBJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-5-9(4-2)6(7)8/h3-4H,1-2,5H2,(H3,7,8).
What are the key properties of 1-ethenyl-1-prop-2-enylguanidine?
1-ethenyl-1-prop-2-enylguanidine has a molecular weight of 125.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-prop-2-enylguanidine is sourced from PubChem (CID 88836888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).