9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene

C14H18N2 — CID 22463282

IUPAC9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3cccnc3)CC1CCC2
InChIInChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3
InChIKeyAPTUPAXCDMGCCK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.72
Rot. Bonds1

About 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene

9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 22463282) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID22463282
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3cccnc3)CC1CCC2
InChIInChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3
InChIKeyAPTUPAXCDMGCCK-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene (CID 22463282) is 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(c3cccnc3)CC1CCC2.
What is the InChIKey of 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is APTUPAXCDMGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3.
What are the key properties of 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 214.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 22463282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).