spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]

C8H6N2 — CID 10749210

IUPACspiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
SMILESc1ccc2c(c1)CC21N=N1
InChIInChI=1S/C8H6N2/c1-2-4-7-6(3-1)5-8(7)9-10-8/h1-4H,5H2
InChIKeyUBTQVRCWWOJNHI-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.86
Rot. Bonds

About spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]

spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] (PubChem CID 10749210) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine].

Molecular Properties

Compound Namespiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
PubChem CID10749210
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namespiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
SMILESc1ccc2c(c1)CC21N=N1
InChIInChI=1S/C8H6N2/c1-2-4-7-6(3-1)5-8(7)9-10-8/h1-4H,5H2
InChIKeyUBTQVRCWWOJNHI-UHFFFAOYSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] with MolForge

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Related Compounds

7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
CID 51028831
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 101167605
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
CID 11673102
CID 11673102
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 11986145
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-9-yl)methanol
CID 70383885

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]?
The IUPAC name of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] (CID 10749210) is spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine].
What is the SMILES notation for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]?
The canonical SMILES for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] is c1ccc2c(c1)CC21N=N1.
What is the InChIKey of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]?
The InChIKey is UBTQVRCWWOJNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-7-6(3-1)5-8(7)9-10-8/h1-4H,5H2.
What are the key properties of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]?
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] has a molecular weight of 130.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine] is sourced from PubChem (CID 10749210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).