cyclohexa-1,3-diene-1-carboximidamide

C7H10N2 — CID 91258250

IUPACcyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CCC1
InChIInChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9)
InChIKeyUOHGNHUHUPOMLL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.20
Rot. Bonds1

About cyclohexa-1,3-diene-1-carboximidamide

cyclohexa-1,3-diene-1-carboximidamide (PubChem CID 91258250) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is cyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Namecyclohexa-1,3-diene-1-carboximidamide
PubChem CID91258250
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namecyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CCC1
InChIInChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9)
InChIKeyUOHGNHUHUPOMLL-UHFFFAOYSA-N
XLogP1.20
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.20
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 cyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of cyclohexa-1,3-diene-1-carboximidamide (CID 91258250) is cyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for cyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for cyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is UOHGNHUHUPOMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-7(9)6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9).
What are the key properties of cyclohexa-1,3-diene-1-carboximidamide?
cyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 122.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 91258250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).