8-methyl-6H-cyclohepta[c]pyridine

C11H11N — CID 142083678

IUPAC8-methyl-6H-cyclohepta[c]pyridine
SMILESCC1=CCC=c2ccncc2=C1
InChIInChI=1S/C11H11N/c1-9-3-2-4-10-5-6-12-8-11(10)7-9/h3-8H,2H2,1H3
InChIKeyIEAYLRZEVVBASM-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.99
Rot. Bonds

About 8-methyl-6H-cyclohepta[c]pyridine

8-methyl-6H-cyclohepta[c]pyridine (PubChem CID 142083678) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 8-methyl-6H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name8-methyl-6H-cyclohepta[c]pyridine
PubChem CID142083678
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name8-methyl-6H-cyclohepta[c]pyridine
SMILESCC1=CCC=c2ccncc2=C1
InChIInChI=1S/C11H11N/c1-9-3-2-4-10-5-6-12-8-11(10)7-9/h3-8H,2H2,1H3
InChIKeyIEAYLRZEVVBASM-UHFFFAOYSA-N
XLogP0.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6H-cyclohepta[c]pyridine?
The IUPAC name of 8-methyl-6H-cyclohepta[c]pyridine (CID 142083678) is 8-methyl-6H-cyclohepta[c]pyridine.
What is the SMILES notation for 8-methyl-6H-cyclohepta[c]pyridine?
The canonical SMILES for 8-methyl-6H-cyclohepta[c]pyridine is CC1=CCC=c2ccncc2=C1.
What is the InChIKey of 8-methyl-6H-cyclohepta[c]pyridine?
The InChIKey is IEAYLRZEVVBASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-3-2-4-10-5-6-12-8-11(10)7-9/h3-8H,2H2,1H3.
What are the key properties of 8-methyl-6H-cyclohepta[c]pyridine?
8-methyl-6H-cyclohepta[c]pyridine has a molecular weight of 157.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6H-cyclohepta[c]pyridine is sourced from PubChem (CID 142083678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).