3-(1-hydroxycyclobutyl)benzonitrile

C11H11NO — CID 141367616

IUPAC3-(1-hydroxycyclobutyl)benzonitrile
SMILESN#Cc1cccc(C2(O)CCC2)c1
InChIInChI=1S/C11H11NO/c12-8-9-3-1-4-10(7-9)11(13)5-2-6-11/h1,3-4,7,13H,2,5-6H2
InChIKeyWSEFIILXRYXUCS-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.93
Rot. Bonds1

About 3-(1-hydroxycyclobutyl)benzonitrile

3-(1-hydroxycyclobutyl)benzonitrile (PubChem CID 141367616) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(1-hydroxycyclobutyl)benzonitrile.

Molecular Properties

Compound Name3-(1-hydroxycyclobutyl)benzonitrile
PubChem CID141367616
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(1-hydroxycyclobutyl)benzonitrile
SMILESN#Cc1cccc(C2(O)CCC2)c1
InChIInChI=1S/C11H11NO/c12-8-9-3-1-4-10(7-9)11(13)5-2-6-11/h1,3-4,7,13H,2,5-6H2
InChIKeyWSEFIILXRYXUCS-UHFFFAOYSA-N
XLogP1.93
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-tert-butyl-4-hydroxypiperidin-4-yl)benzonitrile
CID 121450261
3-(1-methylcyclopentyl)benzonitrile
CID 23371913
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
CID 125426912
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
3-[3-[ethyl(pyrrolidin-1-yl)amino]-1-hydroxycyclohexyl]benzonitrile
CID 174479049
3-[1-(1-aminoethyl)cyclopropyl]benzonitrile
CID 117280517
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
3-(3-cyanophenyl)piperidine-3-carboxylic acid
CID 117050284
3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
CID 159605665
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclobutyl)benzonitrile?
The IUPAC name of 3-(1-hydroxycyclobutyl)benzonitrile (CID 141367616) is 3-(1-hydroxycyclobutyl)benzonitrile.
What is the SMILES notation for 3-(1-hydroxycyclobutyl)benzonitrile?
The canonical SMILES for 3-(1-hydroxycyclobutyl)benzonitrile is N#Cc1cccc(C2(O)CCC2)c1.
What is the InChIKey of 3-(1-hydroxycyclobutyl)benzonitrile?
The InChIKey is WSEFIILXRYXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-8-9-3-1-4-10(7-9)11(13)5-2-6-11/h1,3-4,7,13H,2,5-6H2.
What are the key properties of 3-(1-hydroxycyclobutyl)benzonitrile?
3-(1-hydroxycyclobutyl)benzonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclobutyl)benzonitrile is sourced from PubChem (CID 141367616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).