3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane

C10H12N2 — CID 175933789

IUPAC3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2
InChIKeyGXWNJEAVCAMGAU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.54
Rot. Bonds1

About 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane

3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 175933789) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
PubChem CID175933789
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2
InChIKeyGXWNJEAVCAMGAU-UHFFFAOYSA-N
XLogP1.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124792126
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
CID 24752137
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
(4aR,7aR)-6-(6-chloro-3-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;(4aR,7aR)-6-pyridin-3-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 159096161
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
CID 175920749
N-[[(3aR,4R,7aS)-2-pyridin-3-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]-N-methylcyclopropanamine
CID 97402973
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane (CID 175933789) is 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane is c1cncc(N2CC3CC3C2)c1.
What is the InChIKey of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GXWNJEAVCAMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2.
What are the key properties of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 160.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 175933789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).