8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

C14H14N2O — CID 611216

IUPAC8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCOc1ccc2c3c(cccc13)N(C)N=C2C
InChIInChI=1S/C14H14N2O/c1-9-10-7-8-13(17-3)11-5-4-6-12(14(10)11)16(2)15-9/h4-8H,1-3H3
InChIKeyDXWZBFBWUGZCLO-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.02
Rot. Bonds1

About 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (PubChem CID 611216) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.

Molecular Properties

Compound Name8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
PubChem CID611216
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCOc1ccc2c3c(cccc13)N(C)N=C2C
InChIInChI=1S/C14H14N2O/c1-9-10-7-8-13(17-3)11-5-4-6-12(14(10)11)16(2)15-9/h4-8H,1-3H3
InChIKeyDXWZBFBWUGZCLO-UHFFFAOYSA-N
XLogP3.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The IUPAC name of 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (CID 611216) is 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.
What is the SMILES notation for 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The canonical SMILES for 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is COc1ccc2c3c(cccc13)N(C)N=C2C.
What is the InChIKey of 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The InChIKey is DXWZBFBWUGZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-10-7-8-13(17-3)11-5-4-6-12(14(10)11)16(2)15-9/h4-8H,1-3H3.
What are the key properties of 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene has a molecular weight of 226.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,4-dimethyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is sourced from PubChem (CID 611216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).