2-nitroimidazolidine

C3H7N3O2 — CID 19360746

IUPAC2-nitroimidazolidine
SMILESO=[N+]([O-])C1NCCN1
InChIInChI=1S/C3H7N3O2/c7-6(8)3-4-1-2-5-3/h3-5H,1-2H2
InChIKeyLJOSITONLOZENU-UHFFFAOYSA-N
MW117.11 g/mol
LogP-1.26
Rot. Bonds1

About 2-nitroimidazolidine

2-nitroimidazolidine (PubChem CID 19360746) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is 2-nitroimidazolidine.

Molecular Properties

Compound Name2-nitroimidazolidine
PubChem CID19360746
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name2-nitroimidazolidine
SMILESO=[N+]([O-])C1NCCN1
InChIInChI=1S/C3H7N3O2/c7-6(8)3-4-1-2-5-3/h3-5H,1-2H2
InChIKeyLJOSITONLOZENU-UHFFFAOYSA-N
XLogP-1.26
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
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-nitroimidazolidine?
The IUPAC name of 2-nitroimidazolidine (CID 19360746) is 2-nitroimidazolidine.
What is the SMILES notation for 2-nitroimidazolidine?
The canonical SMILES for 2-nitroimidazolidine is O=[N+]([O-])C1NCCN1.
What is the InChIKey of 2-nitroimidazolidine?
The InChIKey is LJOSITONLOZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c7-6(8)3-4-1-2-5-3/h3-5H,1-2H2.
What are the key properties of 2-nitroimidazolidine?
2-nitroimidazolidine has a molecular weight of 117.11 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroimidazolidine is sourced from PubChem (CID 19360746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).