10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene

C15H21NO2 — CID 142808373

IUPAC10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene
SMILESCOC1=C(OC)C2=C3C(=CC1)CCNC3CCC2
InChIInChI=1S/C15H21NO2/c1-17-13-7-6-10-8-9-16-12-5-3-4-11(14(10)12)15(13)18-2/h6,12,16H,3-5,7-9H2,1-2H3
InChIKeyAHDISCMLNUHHJH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds2

About 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene

10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene (PubChem CID 142808373) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene.

Molecular Properties

Compound Name10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene
PubChem CID142808373
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene
SMILESCOC1=C(OC)C2=C3C(=CC1)CCNC3CCC2
InChIInChI=1S/C15H21NO2/c1-17-13-7-6-10-8-9-16-12-5-3-4-11(14(10)12)15(13)18-2/h6,12,16H,3-5,7-9H2,1-2H3
InChIKeyAHDISCMLNUHHJH-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene?
The IUPAC name of 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene (CID 142808373) is 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene.
What is the SMILES notation for 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene?
The canonical SMILES for 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene is COC1=C(OC)C2=C3C(=CC1)CCNC3CCC2.
What is the InChIKey of 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene?
The InChIKey is AHDISCMLNUHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-7-6-10-8-9-16-12-5-3-4-11(14(10)12)15(13)18-2/h6,12,16H,3-5,7-9H2,1-2H3.
What are the key properties of 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene?
10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene has a molecular weight of 247.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethoxy-4-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),10-triene is sourced from PubChem (CID 142808373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).