cyclopenta-2,4-diene-1-carboximidamide

C6H8N2 — CID 89338639

IUPACcyclopenta-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C1
InChIInChI=1S/C6H8N2/c7-6(8)5-3-1-2-4-5/h1-5H,(H3,7,8)
InChIKeyRMULRSJXRYFKTE-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.66
Rot. Bonds1

About cyclopenta-2,4-diene-1-carboximidamide

cyclopenta-2,4-diene-1-carboximidamide (PubChem CID 89338639) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1-carboximidamide
PubChem CID89338639
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Namecyclopenta-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C1
InChIInChI=1S/C6H8N2/c7-6(8)5-3-1-2-4-5/h1-5H,(H3,7,8)
InChIKeyRMULRSJXRYFKTE-UHFFFAOYSA-N
XLogP0.66
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.66
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 cyclopenta-2,4-diene-1-carboximidamide?
The IUPAC name of cyclopenta-2,4-diene-1-carboximidamide (CID 89338639) is cyclopenta-2,4-diene-1-carboximidamide.
What is the SMILES notation for cyclopenta-2,4-diene-1-carboximidamide?
The canonical SMILES for cyclopenta-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-diene-1-carboximidamide?
The InChIKey is RMULRSJXRYFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6(8)5-3-1-2-4-5/h1-5H,(H3,7,8).
What are the key properties of cyclopenta-2,4-diene-1-carboximidamide?
cyclopenta-2,4-diene-1-carboximidamide has a molecular weight of 108.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1-carboximidamide is sourced from PubChem (CID 89338639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).