1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone

C15H14N2O2 — CID 3129173

IUPAC1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone
SMILESCOc1ccc2c3c(cccc13)N(C(C)=O)N=C2C
InChIInChI=1S/C15H14N2O2/c1-9-11-7-8-14(19-3)12-5-4-6-13(15(11)12)17(16-9)10(2)18/h4-8H,1-3H3
InChIKeyIUFOVZYGTYYQML-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.94
Rot. Bonds1

About 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone

1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone (PubChem CID 3129173) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone
PubChem CID3129173
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone
SMILESCOc1ccc2c3c(cccc13)N(C(C)=O)N=C2C
InChIInChI=1S/C15H14N2O2/c1-9-11-7-8-14(19-3)12-5-4-6-13(15(11)12)17(16-9)10(2)18/h4-8H,1-3H3
InChIKeyIUFOVZYGTYYQML-UHFFFAOYSA-N
XLogP2.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone?
The IUPAC name of 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone (CID 3129173) is 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone.
What is the SMILES notation for 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone?
The canonical SMILES for 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone is COc1ccc2c3c(cccc13)N(C(C)=O)N=C2C.
What is the InChIKey of 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone?
The InChIKey is IUFOVZYGTYYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-11-7-8-14(19-3)12-5-4-6-13(15(11)12)17(16-9)10(2)18/h4-8H,1-3H3.
What are the key properties of 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone?
1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-2-yl)ethanone is sourced from PubChem (CID 3129173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).