(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene

C14H18N2 — CID 21337396

IUPAC(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2CCC[C@H]1C=C(c1cccnc1)C2
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/t13-,14?/m0/s1
InChIKeyAPTUPAXCDMGCCK-LSLKUGRBSA-N
MW214.31 g/mol
LogP2.72
Rot. Bonds1

About (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene

(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 21337396) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID21337396
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2CCC[C@H]1C=C(c1cccnc1)C2
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/t13-,14?/m0/s1
InChIKeyAPTUPAXCDMGCCK-LSLKUGRBSA-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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Related Compounds

3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene-9-carbonyl isocyanide
CID 123897865
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974487
3-[2,6-di(propan-2-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973555
2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
CID 171974754
9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
CID 171967830
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171974636
tert-butyl 3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate
CID 171972602
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
3-[3-fluoro-4-(trifluoromethoxy)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973454
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
CID 24752137

Frequently Asked Questions

What is the IUPAC name of (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene (CID 21337396) is (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene is CN1C2CCC[C@H]1C=C(c1cccnc1)C2.
What is the InChIKey of (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is APTUPAXCDMGCCK-LSLKUGRBSA-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/t13-,14?/m0/s1.
What are the key properties of (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene?
(1S)-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 (1S)-9-methyl-3-pyridin-3-yl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 21337396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).