cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine

C12H22N4O3 — CID 145219668

IUPACcyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine
SMILESC1CC1.CN1CC1.COCc1cnc([N+](=O)[O-])n1C
InChIInChI=1S/C6H9N3O3.C3H7N.C3H6/c1-8-5(4-12-2)3-7-6(8)9(10)11;1-4-2-3-4;1-2-3-1/h3H,4H2,1-2H3;2-3H2,1H3;1-3H2
InChIKeyUOFNGTNEJVETBZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.58
Rot. Bonds3

About cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine

cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine (PubChem CID 145219668) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine.

Molecular Properties

Compound Namecyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine
PubChem CID145219668
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Namecyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine
SMILESC1CC1.CN1CC1.COCc1cnc([N+](=O)[O-])n1C
InChIInChI=1S/C6H9N3O3.C3H7N.C3H6/c1-8-5(4-12-2)3-7-6(8)9(10)11;1-4-2-3-4;1-2-3-1/h3H,4H2,1-2H3;2-3H2,1H3;1-3H2
InChIKeyUOFNGTNEJVETBZ-UHFFFAOYSA-N
XLogP1.58
TPSA73.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine?
The IUPAC name of cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine (CID 145219668) is cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine.
What is the SMILES notation for cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine?
The canonical SMILES for cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine is C1CC1.CN1CC1.COCc1cnc([N+](=O)[O-])n1C.
What is the InChIKey of cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine?
The InChIKey is UOFNGTNEJVETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3.C3H7N.C3H6/c1-8-5(4-12-2)3-7-6(8)9(10)11;1-4-2-3-4;1-2-3-1/h3H,4H2,1-2H3;2-3H2,1H3;1-3H2.
What are the key properties of cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine?
cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine has a molecular weight of 270.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;5-(methoxymethyl)-1-methyl-2-nitroimidazole;1-methylaziridine is sourced from PubChem (CID 145219668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).