1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine

C14H14N2O2 — CID 132602875

IUPAC1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine
SMILESO=[N+]([O-])c1ccccc1-c1ccn2c1CCCC2
InChIInChI=1S/C14H14N2O2/c17-16(18)14-7-2-1-5-11(14)12-8-10-15-9-4-3-6-13(12)15/h1-2,5,7-8,10H,3-4,6,9H2
InChIKeyXADXMVMMLOFSDH-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.40
Rot. Bonds2

About 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine

1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine (PubChem CID 132602875) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine
PubChem CID132602875
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine
SMILESO=[N+]([O-])c1ccccc1-c1ccn2c1CCCC2
InChIInChI=1S/C14H14N2O2/c17-16(18)14-7-2-1-5-11(14)12-8-10-15-9-4-3-6-13(12)15/h1-2,5,7-8,10H,3-4,6,9H2
InChIKeyXADXMVMMLOFSDH-UHFFFAOYSA-N
XLogP3.40
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine (CID 132602875) is 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine is O=[N+]([O-])c1ccccc1-c1ccn2c1CCCC2.
What is the InChIKey of 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine?
The InChIKey is XADXMVMMLOFSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-16(18)14-7-2-1-5-11(14)12-8-10-15-9-4-3-6-13(12)15/h1-2,5,7-8,10H,3-4,6,9H2.
What are the key properties of 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine?
1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine has a molecular weight of 242.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 132602875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).