2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C12H11N3O2 — CID 910705

IUPAC2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESO=[N+]([O-])c1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-5-3-9(4-6-10)11-8-14-7-1-2-12(14)13-11/h3-6,8H,1-2,7H2
InChIKeyYJEUKSXNJPGTOE-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.40
Rot. Bonds2

About 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 910705) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID910705
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESO=[N+]([O-])c1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-5-3-9(4-6-10)11-8-14-7-1-2-12(14)13-11/h3-6,8H,1-2,7H2
InChIKeyYJEUKSXNJPGTOE-UHFFFAOYSA-N
XLogP2.40
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.40
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 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 910705) is 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is O=[N+]([O-])c1ccc(-c2cn3c(n2)CCC3)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is YJEUKSXNJPGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-15(17)10-5-3-9(4-6-10)11-8-14-7-1-2-12(14)13-11/h3-6,8H,1-2,7H2.
What are the key properties of 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 229.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).