5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile

C12H10N2O — CID 84774834

IUPAC5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C2(C#N)CCC2)ccc1O
InChIInChI=1S/C12H10N2O/c13-7-9-6-10(2-3-11(9)15)12(8-14)4-1-5-12/h2-3,6,15H,1,4-5H2
InChIKeyAEXFAUDVPYQNEF-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.21
Rot. Bonds1

About 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile

5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile (PubChem CID 84774834) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile
PubChem CID84774834
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C2(C#N)CCC2)ccc1O
InChIInChI=1S/C12H10N2O/c13-7-9-6-10(2-3-11(9)15)12(8-14)4-1-5-12/h2-3,6,15H,1,4-5H2
InChIKeyAEXFAUDVPYQNEF-UHFFFAOYSA-N
XLogP2.21
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-adamantyl)-2-hydroxybenzonitrile
CID 132587298
phenyl 5-(1-cyanocyclobutyl)-2-hydroxybenzoate
CID 165153275
1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026
1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
CID 84776318
1-(4-amino-3-methylsulfanylphenyl)cyclobutane-1-carbonitrile
CID 116998573
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869
[4-(1-cyanocyclopentyl)phenyl]boronic acid
CID 75485914
1-(3-formyl-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 140857950
1-(4-amino-3-methylsulfonylphenyl)cyclobutane-1-carbonitrile
CID 116998729
1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
CID 23134458
1-(4-methylsulfonylphenyl)cyclobutane-1-carbonitrile
CID 66748522

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile (CID 84774834) is 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile is N#Cc1cc(C2(C#N)CCC2)ccc1O.
What is the InChIKey of 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile?
The InChIKey is AEXFAUDVPYQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-7-9-6-10(2-3-11(9)15)12(8-14)4-1-5-12/h2-3,6,15H,1,4-5H2.
What are the key properties of 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile?
5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyanocyclobutyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 84774834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).