N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide

C10H10N2 — CID 21447262

IUPACN'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
SMILESC/N=C(\N)C1=c2ccccc2=C1
InChIInChI=1S/C10H10N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,11,12)
InChIKeyJARWAFZVWDIFLH-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds1

About N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide

N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide (PubChem CID 21447262) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide.

Molecular Properties

Compound NameN'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
PubChem CID21447262
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC NameN'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
SMILESC/N=C(\N)C1=c2ccccc2=C1
InChIInChI=1S/C10H10N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,11,12)
InChIKeyJARWAFZVWDIFLH-UHFFFAOYSA-N
XLogP-0.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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 N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide?
The IUPAC name of N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide (CID 21447262) is N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide.
What is the SMILES notation for N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide?
The canonical SMILES for N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide is C/N=C(\N)C1=c2ccccc2=C1.
What is the InChIKey of N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide?
The InChIKey is JARWAFZVWDIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H2,11,12).
What are the key properties of N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide?
N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide has a molecular weight of 158.20 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide is sourced from PubChem (CID 21447262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).