7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

C14H17ClN2 — CID 71450029

IUPAC7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(Cl)c3)CC(C2)C1
InChIInChI=1S/C14H17ClN2/c1-17-8-10-2-11(9-17)4-12(3-10)13-5-14(15)7-16-6-13/h3,5-7,10-11H,2,4,8-9H2,1H3
InChIKeyKISYGAAWAUCCJZ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.09
Rot. Bonds1

About 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene

7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71450029) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71450029
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(Cl)c3)CC(C2)C1
InChIInChI=1S/C14H17ClN2/c1-17-8-10-2-11(9-17)4-12(3-10)13-5-14(15)7-16-6-13/h3,5-7,10-11H,2,4,8-9H2,1H3
InChIKeyKISYGAAWAUCCJZ-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene (CID 71450029) is 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is CN1CC2C=C(c3cncc(Cl)c3)CC(C2)C1.
What is the InChIKey of 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is KISYGAAWAUCCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-17-8-10-2-11(9-17)4-12(3-10)13-5-14(15)7-16-6-13/h3,5-7,10-11H,2,4,8-9H2,1H3.
What are the key properties of 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene?
7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 248.76 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71450029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).