8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate

C14H15ClN2O6 — CID 10759761

IUPAC8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate
SMILESO=[N+]([O-])c1ccc([NH+]=c2c3c2CCCCC3)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H14N2O2.ClHO4/c17-16(18)11-8-6-10(7-9-11)15-14-12-4-2-1-3-5-13(12)14;2-1(3,4)5/h6-9H,1-5H2;(H,2,3,4,5)
InChIKeyWHBSAWLGOGNUEQ-UHFFFAOYSA-N
MW342.74 g/mol
LogP-3.70
Rot. Bonds2

About 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate

8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate (PubChem CID 10759761) has the molecular formula C14H15ClN2O6 and a molecular weight of 342.74 g/mol. Its IUPAC name is 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate.

Molecular Properties

Compound Name8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate
PubChem CID10759761
Molecular FormulaC14H15ClN2O6
Molecular Weight342.74 g/mol
Exact Mass342.06
IUPAC Name8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate
SMILESO=[N+]([O-])c1ccc([NH+]=c2c3c2CCCCC3)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H14N2O2.ClHO4/c17-16(18)11-8-6-10(7-9-11)15-14-12-4-2-1-3-5-13(12)14;2-1(3,4)5/h6-9H,1-5H2;(H,2,3,4,5)
InChIKeyWHBSAWLGOGNUEQ-UHFFFAOYSA-N
XLogP-3.70
TPSA149.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 5-3.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium bromide
CID 10853344
9-(4-nitrophenyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 15325074
N-(cyclohexylideneamino)-4-nitroaniline
CID 616169
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595
N-(4-nitrophenoxy)cyclohexanimine
CID 2927145
1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone;hydrochloride
CID 44789139
(4-nitrophenyl)thallium
CID 88798953
azepan-1-ium-1-ylidene-(4-nitrophenyl)methanamine
CID 7072756
cyclohexane;ethene;nitrobenzene
CID 174971101
CID 59711141
CID 59711141
N-methyl-2-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191053
methyl 1-[[2-(4-nitrophenyl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
CID 142715407

Frequently Asked Questions

What is the IUPAC name of 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate?
The IUPAC name of 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate (CID 10759761) is 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate.
What is the SMILES notation for 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate?
The canonical SMILES for 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate is O=[N+]([O-])c1ccc([NH+]=c2c3c2CCCCC3)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate?
The InChIKey is WHBSAWLGOGNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.ClHO4/c17-16(18)11-8-6-10(7-9-11)15-14-12-4-2-1-3-5-13(12)14;2-1(3,4)5/h6-9H,1-5H2;(H,2,3,4,5).
What are the key properties of 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate?
8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate has a molecular weight of 342.74 g/mol, XLogP of -3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bicyclo[5.1.0]oct-1(7)-enylidene-(4-nitrophenyl)azanium perchlorate is sourced from PubChem (CID 10759761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).