1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile

C11H9NO2 — CID 131374802

IUPAC1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2O)CC(=O)C1
InChIInChI=1S/C11H9NO2/c12-7-11(5-8(13)6-11)9-3-1-2-4-10(9)14/h1-4,14H,5-6H2
InChIKeyQKYYMVDLVNMCAU-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.52
Rot. Bonds1

About 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile

1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile (PubChem CID 131374802) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
PubChem CID131374802
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2O)CC(=O)C1
InChIInChI=1S/C11H9NO2/c12-7-11(5-8(13)6-11)9-3-1-2-4-10(9)14/h1-4,14H,5-6H2
InChIKeyQKYYMVDLVNMCAU-UHFFFAOYSA-N
XLogP1.52
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile (CID 131374802) is 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile is N#CC1(c2ccccc2O)CC(=O)C1.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile?
The InChIKey is QKYYMVDLVNMCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-7-11(5-8(13)6-11)9-3-1-2-4-10(9)14/h1-4,14H,5-6H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile?
1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile is sourced from PubChem (CID 131374802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).