2-amino-4-phenyl-1H-pyrrole-3-carbonitrile

C11H9N3 — CID 2766873

IUPAC2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c[nH]c1N
InChIInChI=1S/C11H9N3/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7,14H,13H2
InChIKeyXYEJDFIDVKWWTR-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.14
Rot. Bonds1

About 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile

2-amino-4-phenyl-1H-pyrrole-3-carbonitrile (PubChem CID 2766873) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
PubChem CID2766873
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c[nH]c1N
InChIInChI=1S/C11H9N3/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7,14H,13H2
InChIKeyXYEJDFIDVKWWTR-UHFFFAOYSA-N
XLogP2.14
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile (CID 2766873) is 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile is N#Cc1c(-c2ccccc2)c[nH]c1N.
What is the InChIKey of 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is XYEJDFIDVKWWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7,14H,13H2.
What are the key properties of 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile?
2-amino-4-phenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 2766873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).