2-cyclopenta-1,3-dien-1-ylguanidine

C6H9N3 — CID 172707199

IUPAC2-cyclopenta-1,3-dien-1-ylguanidine
SMILESNC(N)=NC1=CC=CC1
InChIInChI=1S/C6H9N3/c7-6(8)9-5-3-1-2-4-5/h1-3H,4H2,(H4,7,8,9)
InChIKeyNVJFWSYDEDODQZ-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.10
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-ylguanidine

2-cyclopenta-1,3-dien-1-ylguanidine (PubChem CID 172707199) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylguanidine.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylguanidine
PubChem CID172707199
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-cyclopenta-1,3-dien-1-ylguanidine
SMILESNC(N)=NC1=CC=CC1
InChIInChI=1S/C6H9N3/c7-6(8)9-5-3-1-2-4-5/h1-3H,4H2,(H4,7,8,9)
InChIKeyNVJFWSYDEDODQZ-UHFFFAOYSA-N
XLogP0.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.10
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-cyclopenta-1,3-dien-1-ylguanidine?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylguanidine (CID 172707199) is 2-cyclopenta-1,3-dien-1-ylguanidine.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylguanidine?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylguanidine is NC(N)=NC1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylguanidine?
The InChIKey is NVJFWSYDEDODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-6(8)9-5-3-1-2-4-5/h1-3H,4H2,(H4,7,8,9).
What are the key properties of 2-cyclopenta-1,3-dien-1-ylguanidine?
2-cyclopenta-1,3-dien-1-ylguanidine has a molecular weight of 123.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylguanidine is sourced from PubChem (CID 172707199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).