11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one

C13H15NO — CID 142261066

IUPAC11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one
SMILESCC1=CC=C2CCC(=O)N3CCC(=C23)C1
InChIInChI=1S/C13H15NO/c1-9-2-3-10-4-5-12(15)14-7-6-11(8-9)13(10)14/h2-3H,4-8H2,1H3
InChIKeyRNLKSHACFJSUQR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.54
Rot. Bonds

About 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one

11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one (PubChem CID 142261066) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one.

Molecular Properties

Compound Name11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one
PubChem CID142261066
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one
SMILESCC1=CC=C2CCC(=O)N3CCC(=C23)C1
InChIInChI=1S/C13H15NO/c1-9-2-3-10-4-5-12(15)14-7-6-11(8-9)13(10)14/h2-3H,4-8H2,1H3
InChIKeyRNLKSHACFJSUQR-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143958487
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one?
The IUPAC name of 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one (CID 142261066) is 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one.
What is the SMILES notation for 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one?
The canonical SMILES for 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one is CC1=CC=C2CCC(=O)N3CCC(=C23)C1.
What is the InChIKey of 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one?
The InChIKey is RNLKSHACFJSUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-2-3-10-4-5-12(15)14-7-6-11(8-9)13(10)14/h2-3H,4-8H2,1H3.
What are the key properties of 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one?
11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one has a molecular weight of 201.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4-azatricyclo[6.4.1.04,13]trideca-1(13),8,10-trien-5-one is sourced from PubChem (CID 142261066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).