5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine

C13H20N4O8 — CID 15530617

IUPAC5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine
SMILESCC(C[N+](=O)[O-])(ON1OC(C)(C2CC2)CC1([N+](=O)[O-])[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H20N4O8/c1-11(9-3-4-9)7-13(15(20)21,16(22)23)17(24-11)25-12(2,8-14(18)19)10-5-6-10/h9-10H,3-8H2,1-2H3
InChIKeyJSIFPRKVXOYHFN-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.38
Rot. Bonds8

About 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine

5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine (PubChem CID 15530617) has the molecular formula C13H20N4O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine.

Molecular Properties

Compound Name5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine
PubChem CID15530617
Molecular FormulaC13H20N4O8
Molecular Weight360.32 g/mol
Exact Mass360.13
IUPAC Name5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine
SMILESCC(C[N+](=O)[O-])(ON1OC(C)(C2CC2)CC1([N+](=O)[O-])[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H20N4O8/c1-11(9-3-4-9)7-13(15(20)21,16(22)23)17(24-11)25-12(2,8-14(18)19)10-5-6-10/h9-10H,3-8H2,1-2H3
InChIKeyJSIFPRKVXOYHFN-UHFFFAOYSA-N
XLogP1.38
TPSA151.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine?
The IUPAC name of 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine (CID 15530617) is 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine.
What is the SMILES notation for 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine?
The canonical SMILES for 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine is CC(C[N+](=O)[O-])(ON1OC(C)(C2CC2)CC1([N+](=O)[O-])[N+](=O)[O-])C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine?
The InChIKey is JSIFPRKVXOYHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O8/c1-11(9-3-4-9)7-13(15(20)21,16(22)23)17(24-11)25-12(2,8-14(18)19)10-5-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine?
5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine has a molecular weight of 360.32 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine is sourced from PubChem (CID 15530617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).