9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine

C11H15N — CID 58637675

IUPAC9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
SMILESCC12CC=CCC=C1CCC=N2
InChIInChI=1S/C11H15N/c1-11-8-4-2-3-6-10(11)7-5-9-12-11/h2,4,6,9H,3,5,7-8H2,1H3
InChIKeyYOZZVBIUEFWXEA-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.89
Rot. Bonds

About 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine

9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine (PubChem CID 58637675) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
PubChem CID58637675
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
SMILESCC12CC=CCC=C1CCC=N2
InChIInChI=1S/C11H15N/c1-11-8-4-2-3-6-10(11)7-5-9-12-11/h2,4,6,9H,3,5,7-8H2,1H3
InChIKeyYOZZVBIUEFWXEA-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine?
The IUPAC name of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine (CID 58637675) is 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine.
What is the SMILES notation for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine?
The canonical SMILES for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine is CC12CC=CCC=C1CCC=N2.
What is the InChIKey of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine?
The InChIKey is YOZZVBIUEFWXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11-8-4-2-3-6-10(11)7-5-9-12-11/h2,4,6,9H,3,5,7-8H2,1H3.
What are the key properties of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine?
9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine has a molecular weight of 161.25 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine is sourced from PubChem (CID 58637675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).