2-[(2S)-azetidin-2-yl]benzonitrile

C10H10N2 — CID 55278717

IUPAC2-[(2S)-azetidin-2-yl]benzonitrile
SMILESN#Cc1ccccc1[C@@H]1CCN1
InChIInChI=1S/C10H10N2/c11-7-8-3-1-2-4-9(8)10-5-6-12-10/h1-4,10,12H,5-6H2/t10-/m0/s1
InChIKeyZLBIVEOHDWFHLD-JTQLQIEISA-N
MW158.20 g/mol
LogP1.59
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]benzonitrile

2-[(2S)-azetidin-2-yl]benzonitrile (PubChem CID 55278717) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]benzonitrile
PubChem CID55278717
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-[(2S)-azetidin-2-yl]benzonitrile
SMILESN#Cc1ccccc1[C@@H]1CCN1
InChIInChI=1S/C10H10N2/c11-7-8-3-1-2-4-9(8)10-5-6-12-10/h1-4,10,12H,5-6H2/t10-/m0/s1
InChIKeyZLBIVEOHDWFHLD-JTQLQIEISA-N
XLogP1.59
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-3-pyrrolidin-2-ylbenzonitrile
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2-bromo-3-[(2S)-pyrrolidin-2-yl]benzonitrile
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2-(azetidin-2-yl)phenol
CID 55282316
2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile
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2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
2-cycloheptylbenzonitrile
CID 117288835
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
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CID 164551628
2-(1-ethylpiperidin-4-yl)benzonitrile
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2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]benzonitrile?
The IUPAC name of 2-[(2S)-azetidin-2-yl]benzonitrile (CID 55278717) is 2-[(2S)-azetidin-2-yl]benzonitrile.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]benzonitrile?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]benzonitrile is N#Cc1ccccc1[C@@H]1CCN1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]benzonitrile?
The InChIKey is ZLBIVEOHDWFHLD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10N2/c11-7-8-3-1-2-4-9(8)10-5-6-12-10/h1-4,10,12H,5-6H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]benzonitrile?
2-[(2S)-azetidin-2-yl]benzonitrile has a molecular weight of 158.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]benzonitrile is sourced from PubChem (CID 55278717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).