(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile

C18H16N2 — CID 10491595

IUPAC(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2/c19-12-13-10-15-16(11-13)18(15,14-6-2-1-3-7-14)17-8-4-5-9-20-17/h1-9,13,15-16H,10-11H2/t13?,15-,16+,18?
InChIKeyAGBGBAQJLUQIEF-JIPDSPKZSA-N
MW260.34 g/mol
LogP3.55
Rot. Bonds2

About (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile

(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 10491595) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID10491595
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2/c19-12-13-10-15-16(11-13)18(15,14-6-2-1-3-7-14)17-8-4-5-9-20-17/h1-9,13,15-16H,10-11H2/t13?,15-,16+,18?
InChIKeyAGBGBAQJLUQIEF-JIPDSPKZSA-N
XLogP3.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile (CID 10491595) is (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile is N#CC1C[C@@H]2[C@H](C1)C2(c1ccccc1)c1ccccn1.
What is the InChIKey of (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is AGBGBAQJLUQIEF-JIPDSPKZSA-N. The full InChI is InChI=1S/C18H16N2/c19-12-13-10-15-16(11-13)18(15,14-6-2-1-3-7-14)17-8-4-5-9-20-17/h1-9,13,15-16H,10-11H2/t13?,15-,16+,18?.
What are the key properties of (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile?
(1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-phenyl-6-pyridin-2-ylbicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 10491595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).