6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine

C11H13N — CID 88948300

IUPAC6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine
SMILESCC1=C=C2CCCNC2=CC=C1
InChIInChI=1S/C11H13N/c1-9-4-2-6-11-10(8-9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3
InChIKeyBZZCOUBQAGKCFZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.30
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine

6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine (PubChem CID 88948300) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine
PubChem CID88948300
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine
SMILESCC1=C=C2CCCNC2=CC=C1
InChIInChI=1S/C11H13N/c1-9-4-2-6-11-10(8-9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3
InChIKeyBZZCOUBQAGKCFZ-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine (CID 88948300) is 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine is CC1=C=C2CCCNC2=CC=C1.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The InChIKey is BZZCOUBQAGKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-4-2-6-11-10(8-9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3.
What are the key properties of 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine?
6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine is sourced from PubChem (CID 88948300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).