2-[(E)-but-2-en-2-yl]guanidine

C5H11N3 — CID 167013469

IUPAC2-[(E)-but-2-en-2-yl]guanidine
SMILESC/C=C(\C)N=C(N)N
InChIInChI=1S/C5H11N3/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H4,6,7,8)/b4-3+
InChIKeyIYVORAWGUPKKNV-ONEGZZNKSA-N
MW113.16 g/mol
LogP0.18
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]guanidine

2-[(E)-but-2-en-2-yl]guanidine (PubChem CID 167013469) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]guanidine.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]guanidine
PubChem CID167013469
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-[(E)-but-2-en-2-yl]guanidine
SMILESC/C=C(\C)N=C(N)N
InChIInChI=1S/C5H11N3/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H4,6,7,8)/b4-3+
InChIKeyIYVORAWGUPKKNV-ONEGZZNKSA-N
XLogP0.18
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.18
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 2-[(E)-but-2-en-2-yl]guanidine?
The IUPAC name of 2-[(E)-but-2-en-2-yl]guanidine (CID 167013469) is 2-[(E)-but-2-en-2-yl]guanidine.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]guanidine?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]guanidine is C/C=C(\C)N=C(N)N.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]guanidine?
The InChIKey is IYVORAWGUPKKNV-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H4,6,7,8)/b4-3+.
What are the key properties of 2-[(E)-but-2-en-2-yl]guanidine?
2-[(E)-but-2-en-2-yl]guanidine has a molecular weight of 113.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]guanidine is sourced from PubChem (CID 167013469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).