10-methyl-8,9-dihydrocycloocta[b]pyridine

C12H13N — CID 90961108

IUPAC10-methyl-8,9-dihydrocycloocta[b]pyridine
SMILESCC1=c2ncccc2=CC=CCC1
InChIInChI=1S/C12H13N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4-5,7-9H,3,6H2,1H3
InChIKeySGLGEBUIJYVKLS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds

About 10-methyl-8,9-dihydrocycloocta[b]pyridine

10-methyl-8,9-dihydrocycloocta[b]pyridine (PubChem CID 90961108) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 10-methyl-8,9-dihydrocycloocta[b]pyridine.

Molecular Properties

Compound Name10-methyl-8,9-dihydrocycloocta[b]pyridine
PubChem CID90961108
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name10-methyl-8,9-dihydrocycloocta[b]pyridine
SMILESCC1=c2ncccc2=CC=CCC1
InChIInChI=1S/C12H13N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4-5,7-9H,3,6H2,1H3
InChIKeySGLGEBUIJYVKLS-UHFFFAOYSA-N
XLogP1.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-8,9-dihydrocycloocta[b]pyridine?
The IUPAC name of 10-methyl-8,9-dihydrocycloocta[b]pyridine (CID 90961108) is 10-methyl-8,9-dihydrocycloocta[b]pyridine.
What is the SMILES notation for 10-methyl-8,9-dihydrocycloocta[b]pyridine?
The canonical SMILES for 10-methyl-8,9-dihydrocycloocta[b]pyridine is CC1=c2ncccc2=CC=CCC1.
What is the InChIKey of 10-methyl-8,9-dihydrocycloocta[b]pyridine?
The InChIKey is SGLGEBUIJYVKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-10-6-3-2-4-7-11-8-5-9-13-12(10)11/h2,4-5,7-9H,3,6H2,1H3.
What are the key properties of 10-methyl-8,9-dihydrocycloocta[b]pyridine?
10-methyl-8,9-dihydrocycloocta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8,9-dihydrocycloocta[b]pyridine is sourced from PubChem (CID 90961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).