1,2-di(cyclopenta-1,3-dien-1-yl)guanidine

C₁₁H₁₃N₃ — CID 154623197

About 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine

1,2-di(cyclopenta-1,3-dien-1-yl)guanidine (PubChem CID 154623197) has the molecular formula C₁₁H₁₃N₃ and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine.

Molecular Properties

• Compound Name: 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine
• PubChem CID: 154623197
• Molecular Formula: C₁₁H₁₃N₃
• Molecular Weight: 187.25 g/mol
• Exact Mass: 187.11
• IUPAC Name: 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine
• SMILES: N/C(=N\C1=CC=CC1)NC1=CC=CC1
• InChI: InChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)
• InChIKey: KGBVYWXYZQCAGE-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 50.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	187.25
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?

The IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine (CID 154623197) is 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine.

What is the SMILES notation for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?

The canonical SMILES for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine is N/C(=N\C1=CC=CC1)NC1=CC=CC1.

What is the InChIKey of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?

The InChIKey is KGBVYWXYZQCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14).

What are the key properties of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?

1,2-di(cyclopenta-1,3-dien-1-yl)guanidine has a molecular weight of 187.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine is sourced from PubChem (CID 154623197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154623197 — identifiers, structure, computed properties (public domain)

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