5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole

C11H10N6O4 — CID 10565402

IUPAC5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole
SMILESO=[N+]([O-])c1cn([C@H]2C=C[C@@H](n3cncc3[N+](=O)[O-])C2)cn1
InChIInChI=1S/C11H10N6O4/c18-16(19)10-5-14(7-13-10)8-1-2-9(3-8)15-6-12-4-11(15)17(20)21/h1-2,4-9H,3H2/t8-,9+/m0/s1
InChIKeyCPLKUIDMEPHMFY-DTWKUNHWSA-N
MW290.24 g/mol
LogP1.64
Rot. Bonds4

About 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole

5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole (PubChem CID 10565402) has the molecular formula C11H10N6O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole.

Molecular Properties

Compound Name5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole
PubChem CID10565402
Molecular FormulaC11H10N6O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole
SMILESO=[N+]([O-])c1cn([C@H]2C=C[C@@H](n3cncc3[N+](=O)[O-])C2)cn1
InChIInChI=1S/C11H10N6O4/c18-16(19)10-5-14(7-13-10)8-1-2-9(3-8)15-6-12-4-11(15)17(20)21/h1-2,4-9H,3H2/t8-,9+/m0/s1
InChIKeyCPLKUIDMEPHMFY-DTWKUNHWSA-N
XLogP1.64
TPSA121.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole?
The IUPAC name of 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole (CID 10565402) is 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole.
What is the SMILES notation for 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole?
The canonical SMILES for 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole is O=[N+]([O-])c1cn([C@H]2C=C[C@@H](n3cncc3[N+](=O)[O-])C2)cn1.
What is the InChIKey of 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole?
The InChIKey is CPLKUIDMEPHMFY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H10N6O4/c18-16(19)10-5-14(7-13-10)8-1-2-9(3-8)15-6-12-4-11(15)17(20)21/h1-2,4-9H,3H2/t8-,9+/m0/s1.
What are the key properties of 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole?
5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole has a molecular weight of 290.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-[(1S,4R)-4-(4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]imidazole is sourced from PubChem (CID 10565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).