2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile

C15H16N2O — CID 125453504

IUPAC2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile
SMILESN#Cc1ccccc1[C@H]1CNC(=O)C12CCCC2
InChIInChI=1S/C15H16N2O/c16-9-11-5-1-2-6-12(11)13-10-17-14(18)15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeySBAXOZJIZVIFKB-CYBMUJFWSA-N
MW240.31 g/mol
LogP2.33
Rot. Bonds1

About 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile

2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile (PubChem CID 125453504) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile
PubChem CID125453504
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile
SMILESN#Cc1ccccc1[C@H]1CNC(=O)C12CCCC2
InChIInChI=1S/C15H16N2O/c16-9-11-5-1-2-6-12(11)13-10-17-14(18)15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeySBAXOZJIZVIFKB-CYBMUJFWSA-N
XLogP2.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125450830
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CID 86334128
2-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzonitrile
CID 171187869
2-[(2S)-azetidin-2-yl]benzonitrile
CID 55278717
(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
CID 125450111
2-cycloheptylbenzonitrile
CID 117288835
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
2-(5-bromopiperidin-2-yl)benzonitrile
CID 141477384
(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carbonitrile
CID 58645346
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)benzonitrile
CID 43235115
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
(3R,4S)-4-(2-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 46783572

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile?
The IUPAC name of 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile (CID 125453504) is 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile.
What is the SMILES notation for 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile?
The canonical SMILES for 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile is N#Cc1ccccc1[C@H]1CNC(=O)C12CCCC2.
What is the InChIKey of 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile?
The InChIKey is SBAXOZJIZVIFKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O/c16-9-11-5-1-2-6-12(11)13-10-17-14(18)15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-8,10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile?
2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-oxo-2-azaspiro[4.4]nonan-4-yl]benzonitrile is sourced from PubChem (CID 125453504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).