10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one

C13H15NO — CID 70374306

IUPAC10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one
SMILESCC1NCC2=C3C(=CCCC3C1=O)C=C2
InChIInChI=1S/C13H15NO/c1-8-13(15)11-4-2-3-9-5-6-10(7-14-8)12(9)11/h3,5-6,8,11,14H,2,4,7H2,1H3
InChIKeyPMOWPKMBCLIMGX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.75
Rot. Bonds

About 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one

10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one (PubChem CID 70374306) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one.

Molecular Properties

Compound Name10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one
PubChem CID70374306
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one
SMILESCC1NCC2=C3C(=CCCC3C1=O)C=C2
InChIInChI=1S/C13H15NO/c1-8-13(15)11-4-2-3-9-5-6-10(7-14-8)12(9)11/h3,5-6,8,11,14H,2,4,7H2,1H3
InChIKeyPMOWPKMBCLIMGX-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one?
The IUPAC name of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one (CID 70374306) is 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one.
What is the SMILES notation for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one?
The canonical SMILES for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one is CC1NCC2=C3C(=CCCC3C1=O)C=C2.
What is the InChIKey of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one?
The InChIKey is PMOWPKMBCLIMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-13(15)11-4-2-3-9-5-6-10(7-14-8)12(9)11/h3,5-6,8,11,14H,2,4,7H2,1H3.
What are the key properties of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one?
10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one has a molecular weight of 201.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one is sourced from PubChem (CID 70374306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).