1-(4-methylphenyl)pyrrole-2-carbonitrile

C12H10N2 — CID 2797715

IUPAC1-(4-methylphenyl)pyrrole-2-carbonitrile
SMILESCc1ccc(-n2cccc2C#N)cc1
InChIInChI=1S/C12H10N2/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13/h2-8H,1H3
InChIKeyASFPSMFKRRQDIX-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.66
Rot. Bonds1

About 1-(4-methylphenyl)pyrrole-2-carbonitrile

1-(4-methylphenyl)pyrrole-2-carbonitrile (PubChem CID 2797715) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrrole-2-carbonitrile
PubChem CID2797715
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-(4-methylphenyl)pyrrole-2-carbonitrile
SMILESCc1ccc(-n2cccc2C#N)cc1
InChIInChI=1S/C12H10N2/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13/h2-8H,1H3
InChIKeyASFPSMFKRRQDIX-UHFFFAOYSA-N
XLogP2.66
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)pyrrole-2-carbonitrile (CID 2797715) is 1-(4-methylphenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)pyrrole-2-carbonitrile is Cc1ccc(-n2cccc2C#N)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrrole-2-carbonitrile?
The InChIKey is ASFPSMFKRRQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13/h2-8H,1H3.
What are the key properties of 1-(4-methylphenyl)pyrrole-2-carbonitrile?
1-(4-methylphenyl)pyrrole-2-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 2797715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).