bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide

C7H8N2 — CID 118641953

IUPACbicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide
SMILES[H]/N=C(\N)C1=CC2=CC2C1
InChIInChI=1S/C7H8N2/c8-7(9)6-2-4-1-5(4)3-6/h1-2,5H,3H2,(H3,8,9)
InChIKeyQOPWNVPLFKRLTN-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.81
Rot. Bonds1

About bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide

bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide (PubChem CID 118641953) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide
PubChem CID118641953
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Namebicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide
SMILES[H]/N=C(\N)C1=CC2=CC2C1
InChIInChI=1S/C7H8N2/c8-7(9)6-2-4-1-5(4)3-6/h1-2,5H,3H2,(H3,8,9)
InChIKeyQOPWNVPLFKRLTN-UHFFFAOYSA-N
XLogP0.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.81
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 bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide (CID 118641953) is bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide is [H]/N=C(\N)C1=CC2=CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide?
The InChIKey is QOPWNVPLFKRLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-7(9)6-2-4-1-5(4)3-6/h1-2,5H,3H2,(H3,8,9).
What are the key properties of bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide?
bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide has a molecular weight of 120.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide is sourced from PubChem (CID 118641953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).