2-(2-nitroimidazol-1-yl)cyclopentan-1-ol

C8H11N3O3 — CID 15591846

IUPAC2-(2-nitroimidazol-1-yl)cyclopentan-1-ol
SMILESO=[N+]([O-])c1nccn1C1CCCC1O
InChIInChI=1S/C8H11N3O3/c12-7-3-1-2-6(7)10-5-4-9-8(10)11(13)14/h4-7,12H,1-3H2
InChIKeyCNNLTFHCFGWEMT-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.88
Rot. Bonds2

About 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol

2-(2-nitroimidazol-1-yl)cyclopentan-1-ol (PubChem CID 15591846) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)cyclopentan-1-ol
PubChem CID15591846
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2-nitroimidazol-1-yl)cyclopentan-1-ol
SMILESO=[N+]([O-])c1nccn1C1CCCC1O
InChIInChI=1S/C8H11N3O3/c12-7-3-1-2-6(7)10-5-4-9-8(10)11(13)14/h4-7,12H,1-3H2
InChIKeyCNNLTFHCFGWEMT-UHFFFAOYSA-N
XLogP0.88
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-nitroimidazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol (CID 15591846) is 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol is O=[N+]([O-])c1nccn1C1CCCC1O.
What is the InChIKey of 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol?
The InChIKey is CNNLTFHCFGWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7-3-1-2-6(7)10-5-4-9-8(10)11(13)14/h4-7,12H,1-3H2.
What are the key properties of 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol?
2-(2-nitroimidazol-1-yl)cyclopentan-1-ol has a molecular weight of 197.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 15591846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).