3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine

C23H20N2O3 — CID 2327392

IUPAC3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine
SMILESCOc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-12-10-18(11-13-20)22(16-25(26)27)23-21(17-7-3-2-4-8-17)15-19-9-5-6-14-24(19)23/h2-15,22H,16H2,1H3/t22-/m0/s1
InChIKeyXTWBCHZDKPATDT-QFIPXVFZSA-N
MW372.42 g/mol
LogP5.02
Rot. Bonds6

About 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine

3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine (PubChem CID 2327392) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine.

Molecular Properties

Compound Name3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine
PubChem CID2327392
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine
SMILESCOc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C23H20N2O3/c1-28-20-12-10-18(11-13-20)22(16-25(26)27)23-21(17-7-3-2-4-8-17)15-19-9-5-6-14-24(19)23/h2-15,22H,16H2,1H3/t22-/m0/s1
InChIKeyXTWBCHZDKPATDT-QFIPXVFZSA-N
XLogP5.02
TPSA56.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
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 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine?
The IUPAC name of 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine (CID 2327392) is 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine.
What is the SMILES notation for 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine?
The canonical SMILES for 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine is COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1.
What is the InChIKey of 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine?
The InChIKey is XTWBCHZDKPATDT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-20-12-10-18(11-13-20)22(16-25(26)27)23-21(17-7-3-2-4-8-17)15-19-9-5-6-14-24(19)23/h2-15,22H,16H2,1H3/t22-/m0/s1.
What are the key properties of 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine?
3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine has a molecular weight of 372.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenylindolizine is sourced from PubChem (CID 2327392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).