(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

C11H14N2 — CID 153321398

IUPAC(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESc1ccc([C@@]23CCNC[C@@H]2C3)nc1
InChIInChI=1S/C11H14N2/c1-2-5-13-10(3-1)11-4-6-12-8-9(11)7-11/h1-3,5,9,12H,4,6-8H2/t9-,11+/m0/s1
InChIKeyAQCUXHRAXPCCHP-GXSJLCMTSA-N
MW174.25 g/mol
LogP1.33
Rot. Bonds1

About (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 153321398) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID153321398
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESc1ccc([C@@]23CCNC[C@@H]2C3)nc1
InChIInChI=1S/C11H14N2/c1-2-5-13-10(3-1)11-4-6-12-8-9(11)7-11/h1-3,5,9,12H,4,6-8H2/t9-,11+/m0/s1
InChIKeyAQCUXHRAXPCCHP-GXSJLCMTSA-N
XLogP1.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
CID 166003209
6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane
CID 146155860
6-(5-chloropyrimidin-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170565082
6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
CID 175861742
[(3R)-3-pyridin-2-ylpyrrolidin-3-yl]methanol
CID 125041634
3-(4-phenylpiperazin-1-yl)-4-pyridin-2-ylpiperidin-4-ol
CID 136561015
5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
CID 129390404
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (CID 153321398) is (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is c1ccc([C@@]23CCNC[C@@H]2C3)nc1.
What is the InChIKey of (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is AQCUXHRAXPCCHP-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-5-13-10(3-1)11-4-6-12-8-9(11)7-11/h1-3,5,9,12H,4,6-8H2/t9-,11+/m0/s1.
What are the key properties of (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
(1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 174.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 153321398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).