spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]

C13H10N2 — CID 100944087

IUPACspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
SMILESc1cnc2c(c1)C1(CC1)c1cccnc1-2
InChIInChI=1S/C13H10N2/c1-3-9-11(14-7-1)12-10(4-2-8-15-12)13(9)5-6-13/h1-4,7-8H,5-6H2
InChIKeyNPXLUDYYIKIPIE-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.54
Rot. Bonds

About spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]

spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] (PubChem CID 100944087) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane].

Molecular Properties

Compound Namespiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
PubChem CID100944087
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Namespiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
SMILESc1cnc2c(c1)C1(CC1)c1cccnc1-2
InChIInChI=1S/C13H10N2/c1-3-9-11(14-7-1)12-10(4-2-8-15-12)13(9)5-6-13/h1-4,7-8H,5-6H2
InChIKeyNPXLUDYYIKIPIE-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] with MolForge

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Related Compounds

6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
CID 140892102
CID 138579856
CID 138579856
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
CID 102167961
8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58979966
2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine
CID 87321373
hexakis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);bis(nickel(2+));tetrachloride;tetracosahydrate
CID 139204325
(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
CID 139074955
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
CID 10754733

Frequently Asked Questions

What is the IUPAC name of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]?
The IUPAC name of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] (CID 100944087) is spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane].
What is the SMILES notation for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]?
The canonical SMILES for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] is c1cnc2c(c1)C1(CC1)c1cccnc1-2.
What is the InChIKey of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]?
The InChIKey is NPXLUDYYIKIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-3-9-11(14-7-1)12-10(4-2-8-15-12)13(9)5-6-13/h1-4,7-8H,5-6H2.
What are the key properties of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]?
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] has a molecular weight of 194.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane] is sourced from PubChem (CID 100944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).