8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine

C11H13N — CID 134404601

IUPAC8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine
SMILESCC1=CC=CC2=C(C1)N=CCC2
InChIInChI=1S/C11H13N/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,7H,3,6,8H2,1H3
InChIKeyQWGWKTDFHCCNMS-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds

About 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine

8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine (PubChem CID 134404601) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine
PubChem CID134404601
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine
SMILESCC1=CC=CC2=C(C1)N=CCC2
InChIInChI=1S/C11H13N/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,7H,3,6,8H2,1H3
InChIKeyQWGWKTDFHCCNMS-UHFFFAOYSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine?
The IUPAC name of 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine (CID 134404601) is 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine.
What is the SMILES notation for 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine?
The canonical SMILES for 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine is CC1=CC=CC2=C(C1)N=CCC2.
What is the InChIKey of 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine?
The InChIKey is QWGWKTDFHCCNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,7H,3,6,8H2,1H3.
What are the key properties of 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine?
8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine has a molecular weight of 159.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,9-dihydro-3H-cyclohepta[b]pyridine is sourced from PubChem (CID 134404601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).