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

C13H15N — CID 70374360

IUPAC10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
SMILESCC1CC2CCC=C3C=CC(=C32)C=N1
InChIInChI=1S/C13H15N/c1-9-7-11-4-2-3-10-5-6-12(8-14-9)13(10)11/h3,5-6,8-9,11H,2,4,7H2,1H3
InChIKeyFBSCBBCDGQEHKY-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.05
Rot. Bonds

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

10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene (PubChem CID 70374360) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene.

Molecular Properties

Compound Name10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
PubChem CID70374360
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
SMILESCC1CC2CCC=C3C=CC(=C32)C=N1
InChIInChI=1S/C13H15N/c1-9-7-11-4-2-3-10-5-6-12(8-14-9)13(10)11/h3,5-6,8-9,11H,2,4,7H2,1H3
InChIKeyFBSCBBCDGQEHKY-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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),2,4,11-tetraene?
The IUPAC name of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene (CID 70374360) is 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene.
What is the SMILES notation for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
The canonical SMILES for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene is CC1CC2CCC=C3C=CC(=C32)C=N1.
What is the InChIKey of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
The InChIKey is FBSCBBCDGQEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-7-11-4-2-3-10-5-6-12(8-14-9)13(10)11/h3,5-6,8-9,11H,2,4,7H2,1H3.
What are the key properties of 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene has a molecular weight of 185.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene is sourced from PubChem (CID 70374360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).