3-(4-nitroimidazol-1-yl)cyclobutan-1-amine

C7H10N4O2 — CID 20738541

IUPAC3-(4-nitroimidazol-1-yl)cyclobutan-1-amine
SMILESNC1CC(n2cnc([N+](=O)[O-])c2)C1
InChIInChI=1S/C7H10N4O2/c8-5-1-6(2-5)10-3-7(9-4-10)11(12)13/h3-6H,1-2,8H2
InChIKeyRNVXOAVJOJVPQT-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.45
Rot. Bonds2

About 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine

3-(4-nitroimidazol-1-yl)cyclobutan-1-amine (PubChem CID 20738541) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-nitroimidazol-1-yl)cyclobutan-1-amine
PubChem CID20738541
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(4-nitroimidazol-1-yl)cyclobutan-1-amine
SMILESNC1CC(n2cnc([N+](=O)[O-])c2)C1
InChIInChI=1S/C7H10N4O2/c8-5-1-6(2-5)10-3-7(9-4-10)11(12)13/h3-6H,1-2,8H2
InChIKeyRNVXOAVJOJVPQT-UHFFFAOYSA-N
XLogP0.45
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.45
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 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine (CID 20738541) is 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine is NC1CC(n2cnc([N+](=O)[O-])c2)C1.
What is the InChIKey of 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine?
The InChIKey is RNVXOAVJOJVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5-1-6(2-5)10-3-7(9-4-10)11(12)13/h3-6H,1-2,8H2.
What are the key properties of 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine?
3-(4-nitroimidazol-1-yl)cyclobutan-1-amine has a molecular weight of 182.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitroimidazol-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 20738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).