7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine

C11H13N — CID 145299578

IUPAC7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine
SMILESCC1CC=c2cccnc2=CC1
InChIInChI=1S/C11H13N/c1-9-4-6-10-3-2-8-12-11(10)7-5-9/h2-3,6-9H,4-5H2,1H3
InChIKeyRVLUNYRLXWQSGF-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds

About 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine

7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine (PubChem CID 145299578) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine
PubChem CID145299578
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine
SMILESCC1CC=c2cccnc2=CC1
InChIInChI=1S/C11H13N/c1-9-4-6-10-3-2-8-12-11(10)7-5-9/h2-3,6-9H,4-5H2,1H3
InChIKeyRVLUNYRLXWQSGF-UHFFFAOYSA-N
XLogP1.07
TPSA12.89 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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine?
The IUPAC name of 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine (CID 145299578) is 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine.
What is the SMILES notation for 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine?
The canonical SMILES for 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine is CC1CC=c2cccnc2=CC1.
What is the InChIKey of 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine?
The InChIKey is RVLUNYRLXWQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-4-6-10-3-2-8-12-11(10)7-5-9/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine?
7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine has a molecular weight of 159.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7,8-dihydro-6H-cyclohepta[b]pyridine is sourced from PubChem (CID 145299578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).