2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine

C8H16N4 — CID 70358009

IUPAC2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine
SMILESC=CC(N=C(N)N)N1CCCC1
InChIInChI=1S/C8H16N4/c1-2-7(11-8(9)10)12-5-3-4-6-12/h2,7H,1,3-6H2,(H4,9,10,11)
InChIKeyHMMKHAXVHOTKBY-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.13
Rot. Bonds3

About 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine

2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine (PubChem CID 70358009) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine
PubChem CID70358009
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine
SMILESC=CC(N=C(N)N)N1CCCC1
InChIInChI=1S/C8H16N4/c1-2-7(11-8(9)10)12-5-3-4-6-12/h2,7H,1,3-6H2,(H4,9,10,11)
InChIKeyHMMKHAXVHOTKBY-UHFFFAOYSA-N
XLogP-0.13
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine?
The IUPAC name of 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine (CID 70358009) is 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine?
The canonical SMILES for 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine is C=CC(N=C(N)N)N1CCCC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine?
The InChIKey is HMMKHAXVHOTKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-7(11-8(9)10)12-5-3-4-6-12/h2,7H,1,3-6H2,(H4,9,10,11).
What are the key properties of 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine?
2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine has a molecular weight of 168.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylprop-2-enyl)guanidine is sourced from PubChem (CID 70358009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).