5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile

C12H10N2O — CID 131337559

IUPAC5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
InChIKeyJNFBIQLNLGEUPP-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.27
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile

5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile (PubChem CID 131337559) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
PubChem CID131337559
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
InChIKeyJNFBIQLNLGEUPP-UHFFFAOYSA-N
XLogP2.27
TPSA48.95 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile (CID 131337559) is 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile is Cn1c(C#N)ccc1-c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile?
The InChIKey is JNFBIQLNLGEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile?
5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 131337559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).