7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one

C14H17NO — CID 70374116

IUPAC7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one
SMILESCC1CC2CCCC3=CC=NCC(=C32)C1=O
InChIInChI=1S/C14H17NO/c1-9-7-11-4-2-3-10-5-6-15-8-12(13(10)11)14(9)16/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyZOPKWFFFCGBRIW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.70
Rot. Bonds

About 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one

7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one (PubChem CID 70374116) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one.

Molecular Properties

Compound Name7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one
PubChem CID70374116
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one
SMILESCC1CC2CCCC3=CC=NCC(=C32)C1=O
InChIInChI=1S/C14H17NO/c1-9-7-11-4-2-3-10-5-6-15-8-12(13(10)11)14(9)16/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyZOPKWFFFCGBRIW-UHFFFAOYSA-N
XLogP2.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one?
The IUPAC name of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one (CID 70374116) is 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one.
What is the SMILES notation for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one?
The canonical SMILES for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one is CC1CC2CCCC3=CC=NCC(=C32)C1=O.
What is the InChIKey of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one?
The InChIKey is ZOPKWFFFCGBRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-7-11-4-2-3-10-5-6-15-8-12(13(10)11)14(9)16/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one?
7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one has a molecular weight of 215.30 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-trien-8-one is sourced from PubChem (CID 70374116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).