7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine

C20H17N3O2 — CID 177426802

IUPAC7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine
SMILES[H]/N=c1/c(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)cc2n1CCC2
InChIInChI=1S/C20H17N3O2/c21-20-19(15-5-2-1-3-6-15)18(13-17-7-4-12-22(17)20)14-8-10-16(11-9-14)23(24)25/h1-3,5-6,8-11,13,21H,4,7,12H2/b21-20-
InChIKeyJQXRIETXBSDABL-MRCUWXFGSA-N
MW331.38 g/mol
LogP4.16
Rot. Bonds3

About 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine

7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine (PubChem CID 177426802) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine.

Molecular Properties

Compound Name7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine
PubChem CID177426802
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine
SMILES[H]/N=c1/c(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)cc2n1CCC2
InChIInChI=1S/C20H17N3O2/c21-20-19(15-5-2-1-3-6-15)18(13-17-7-4-12-22(17)20)14-8-10-16(11-9-14)23(24)25/h1-3,5-6,8-11,13,21H,4,7,12H2/b21-20-
InChIKeyJQXRIETXBSDABL-MRCUWXFGSA-N
XLogP4.16
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine?
The IUPAC name of 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine (CID 177426802) is 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine.
What is the SMILES notation for 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine?
The canonical SMILES for 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine is [H]/N=c1/c(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)cc2n1CCC2.
What is the InChIKey of 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine?
The InChIKey is JQXRIETXBSDABL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-20-19(15-5-2-1-3-6-15)18(13-17-7-4-12-22(17)20)14-8-10-16(11-9-14)23(24)25/h1-3,5-6,8-11,13,21H,4,7,12H2/b21-20-.
What are the key properties of 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine?
7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine has a molecular weight of 331.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenyl)-6-phenyl-2,3-dihydro-1H-indolizin-5-imine is sourced from PubChem (CID 177426802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).