bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride

C9H11ClN2 — CID 71758321

IUPACbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1Cc2ccccc21
InChIInChI=1S/C9H10N2.ClH/c10-9(11)8-5-6-3-1-2-4-7(6)8;/h1-4,8H,5H2,(H3,10,11);1H
InChIKeyYGNFEAHTQCSVRL-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.68
Rot. Bonds1

About bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride

bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride (PubChem CID 71758321) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
PubChem CID71758321
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Namebicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1Cc2ccccc21
InChIInChI=1S/C9H10N2.ClH/c10-9(11)8-5-6-3-1-2-4-7(6)8;/h1-4,8H,5H2,(H3,10,11);1H
InChIKeyYGNFEAHTQCSVRL-UHFFFAOYSA-N
XLogP1.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.68
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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Related Compounds

1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
CID 64985525
3,4-dihydro-1H-isochromene-1-carboximidamide
CID 75480377
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
CID 174590123
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium
CID 152773809

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride (CID 71758321) is bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1Cc2ccccc21.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride?
The InChIKey is YGNFEAHTQCSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c10-9(11)8-5-6-3-1-2-4-7(6)8;/h1-4,8H,5H2,(H3,10,11);1H.
What are the key properties of bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride?
bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride is sourced from PubChem (CID 71758321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).