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

C9H7ClN2O — CID 88825083

IUPAC4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide
SMILESNC(=NO)C1=Cc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O/c10-6-2-1-5-3-8(7(5)4-6)9(11)12-13/h1-4,13H,(H2,11,12)
InChIKeyXOXPGVHNFZGKAT-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.94
Rot. Bonds1

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

4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide (PubChem CID 88825083) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide
PubChem CID88825083
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide
SMILESNC(=NO)C1=Cc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O/c10-6-2-1-5-3-8(7(5)4-6)9(11)12-13/h1-4,13H,(H2,11,12)
InChIKeyXOXPGVHNFZGKAT-UHFFFAOYSA-N
XLogP1.94
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
N'-hydroxy-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
CID 88825961
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
2-butan-2-ylsulfanyl-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944700
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82749806
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide?
The IUPAC name of 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide (CID 88825083) is 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide is NC(=NO)C1=Cc2ccc(Cl)cc21.
What is the InChIKey of 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide?
The InChIKey is XOXPGVHNFZGKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-6-2-1-5-3-8(7(5)4-6)9(11)12-13/h1-4,13H,(H2,11,12).
What are the key properties of 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide?
4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide has a molecular weight of 194.62 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide is sourced from PubChem (CID 88825083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).