5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine

C11H13N — CID 90839723

IUPAC5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
SMILESCC1CC=CC=C2CN=CC=C21
InChIInChI=1S/C11H13N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-3,5-7,9H,4,8H2,1H3
InChIKeyWHAXHMHMNPLZRE-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds

About 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine

5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine (PubChem CID 90839723) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
PubChem CID90839723
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
SMILESCC1CC=CC=C2CN=CC=C21
InChIInChI=1S/C11H13N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-3,5-7,9H,4,8H2,1H3
InChIKeyWHAXHMHMNPLZRE-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine (CID 90839723) is 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine is CC1CC=CC=C2CN=CC=C21.
What is the InChIKey of 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine?
The InChIKey is WHAXHMHMNPLZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-4-2-3-5-10-8-12-7-6-11(9)10/h2-3,5-7,9H,4,8H2,1H3.
What are the key properties of 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine?
5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 90839723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).