2-(1H-pyrrol-2-yl)guanidine

C5H8N4 — CID 57188296

IUPAC2-(1H-pyrrol-2-yl)guanidine
SMILESNC(N)=Nc1ccc[nH]1
InChIInChI=1S/C5H8N4/c6-5(7)9-4-2-1-3-8-4/h1-3,8H,(H4,6,7,9)
InChIKeyPZBVUZFAUCBIKF-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.08
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)guanidine

2-(1H-pyrrol-2-yl)guanidine (PubChem CID 57188296) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)guanidine.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)guanidine
PubChem CID57188296
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-(1H-pyrrol-2-yl)guanidine
SMILESNC(N)=Nc1ccc[nH]1
InChIInChI=1S/C5H8N4/c6-5(7)9-4-2-1-3-8-4/h1-3,8H,(H4,6,7,9)
InChIKeyPZBVUZFAUCBIKF-UHFFFAOYSA-N
XLogP-0.08
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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-(1H-pyrrol-2-yl)guanidine?
The IUPAC name of 2-(1H-pyrrol-2-yl)guanidine (CID 57188296) is 2-(1H-pyrrol-2-yl)guanidine.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)guanidine?
The canonical SMILES for 2-(1H-pyrrol-2-yl)guanidine is NC(N)=Nc1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)guanidine?
The InChIKey is PZBVUZFAUCBIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5(7)9-4-2-1-3-8-4/h1-3,8H,(H4,6,7,9).
What are the key properties of 2-(1H-pyrrol-2-yl)guanidine?
2-(1H-pyrrol-2-yl)guanidine has a molecular weight of 124.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)guanidine is sourced from PubChem (CID 57188296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).