1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole

C19H16N2O2 — CID 122229036

IUPAC1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESO=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1
InChIInChI=1S/C19H16N2O2/c22-21(23)17-11-9-16(10-12-17)20-18-8-4-7-15(18)13-19(20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2
InChIKeyDUEOTWQWKCVURZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole

1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole (PubChem CID 122229036) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
PubChem CID122229036
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESO=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1
InChIInChI=1S/C19H16N2O2/c22-21(23)17-11-9-16(10-12-17)20-18-8-4-7-15(18)13-19(20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2
InChIKeyDUEOTWQWKCVURZ-UHFFFAOYSA-N
XLogP4.54
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The IUPAC name of 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole (CID 122229036) is 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The canonical SMILES for 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole is O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The InChIKey is DUEOTWQWKCVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-21(23)17-11-9-16(10-12-17)20-18-8-4-7-15(18)13-19(20)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2.
What are the key properties of 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole?
1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole has a molecular weight of 304.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrole is sourced from PubChem (CID 122229036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).