3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine

C10H15N — CID 69182582

IUPAC3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
SMILESC1=C2CCCN=C2CCCC1
InChIInChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h5H,1-4,6-8H2
InChIKeyMNLYOZJXOOGOBK-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.72
Rot. Bonds

About 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine

3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine (PubChem CID 69182582) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
PubChem CID69182582
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
SMILESC1=C2CCCN=C2CCCC1
InChIInChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h5H,1-4,6-8H2
InChIKeyMNLYOZJXOOGOBK-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The IUPAC name of 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine (CID 69182582) is 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine is C1=C2CCCN=C2CCCC1.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The InChIKey is MNLYOZJXOOGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h5H,1-4,6-8H2.
What are the key properties of 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine has a molecular weight of 149.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine is sourced from PubChem (CID 69182582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).