2-prop-2-enylguanidine

C4H9N3 — CID 4092846

IUPAC2-prop-2-enylguanidine
SMILESC=CCN=C(N)N
InChIInChI=1S/C4H9N3/c1-2-3-7-4(5)6/h2H,1,3H2,(H4,5,6,7)
InChIKeyWUEZQZHHXYEAQM-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.55
Rot. Bonds2

About 2-prop-2-enylguanidine

2-prop-2-enylguanidine (PubChem CID 4092846) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2-prop-2-enylguanidine.

Molecular Properties

Compound Name2-prop-2-enylguanidine
PubChem CID4092846
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2-prop-2-enylguanidine
SMILESC=CCN=C(N)N
InChIInChI=1S/C4H9N3/c1-2-3-7-4(5)6/h2H,1,3H2,(H4,5,6,7)
InChIKeyWUEZQZHHXYEAQM-UHFFFAOYSA-N
XLogP-0.55
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.55
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'}

Analyze 2-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylguanidine?
The IUPAC name of 2-prop-2-enylguanidine (CID 4092846) is 2-prop-2-enylguanidine.
What is the SMILES notation for 2-prop-2-enylguanidine?
The canonical SMILES for 2-prop-2-enylguanidine is C=CCN=C(N)N.
What is the InChIKey of 2-prop-2-enylguanidine?
The InChIKey is WUEZQZHHXYEAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-2-3-7-4(5)6/h2H,1,3H2,(H4,5,6,7).
What are the key properties of 2-prop-2-enylguanidine?
2-prop-2-enylguanidine has a molecular weight of 99.14 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylguanidine is sourced from PubChem (CID 4092846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).