N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine

C11H8N8O — CID 683085

IUPACN-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine
SMILESCc1ccccc1Nc1nc2nonc2n2nnnc12
InChIInChI=1S/C11H8N8O/c1-6-4-2-3-5-7(6)12-8-10-14-17-18-19(10)11-9(13-8)15-20-16-11/h2-5H,1H3,(H,12,13,15)
InChIKeyKOBPZBGNVXXOIO-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.11
Rot. Bonds2

About N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine

N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine (PubChem CID 683085) has the molecular formula C11H8N8O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine
PubChem CID683085
Molecular FormulaC11H8N8O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine
SMILESCc1ccccc1Nc1nc2nonc2n2nnnc12
InChIInChI=1S/C11H8N8O/c1-6-4-2-3-5-7(6)12-8-10-14-17-18-19(10)11-9(13-8)15-20-16-11/h2-5H,1H3,(H,12,13,15)
InChIKeyKOBPZBGNVXXOIO-UHFFFAOYSA-N
XLogP1.11
TPSA106.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine?
The IUPAC name of N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine (CID 683085) is N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine?
The canonical SMILES for N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine is Cc1ccccc1Nc1nc2nonc2n2nnnc12.
What is the InChIKey of N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine?
The InChIKey is KOBPZBGNVXXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N8O/c1-6-4-2-3-5-7(6)12-8-10-14-17-18-19(10)11-9(13-8)15-20-16-11/h2-5H,1H3,(H,12,13,15).
What are the key properties of N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine?
N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine has a molecular weight of 268.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-oxa-1,3,5,7,10,11,12-heptazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-8-amine is sourced from PubChem (CID 683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).