5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile

C15H10N2O — CID 730898

IUPAC5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)oc1-n1cccc1
InChIInChI=1S/C15H10N2O/c16-11-13-10-14(12-6-2-1-3-7-12)18-15(13)17-8-4-5-9-17/h1-10H
InChIKeyDHRZFQAQKZPEEW-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.61
Rot. Bonds2

About 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile

5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile (PubChem CID 730898) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile
PubChem CID730898
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)oc1-n1cccc1
InChIInChI=1S/C15H10N2O/c16-11-13-10-14(12-6-2-1-3-7-12)18-15(13)17-8-4-5-9-17/h1-10H
InChIKeyDHRZFQAQKZPEEW-UHFFFAOYSA-N
XLogP3.61
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The IUPAC name of 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile (CID 730898) is 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile.
What is the SMILES notation for 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The canonical SMILES for 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile is N#Cc1cc(-c2ccccc2)oc1-n1cccc1.
What is the InChIKey of 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile?
The InChIKey is DHRZFQAQKZPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-11-13-10-14(12-6-2-1-3-7-12)18-15(13)17-8-4-5-9-17/h1-10H.
What are the key properties of 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile?
5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrrol-1-ylfuran-3-carbonitrile is sourced from PubChem (CID 730898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).