2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine

C6H12N2O2 — CID 3029678

IUPAC2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine
SMILESCCC1OC(C)CN1N=O
InChIInChI=1S/C6H12N2O2/c1-3-6-8(7-9)4-5(2)10-6/h5-6H,3-4H2,1-2H3
InChIKeyMGWMSESWDVZKRI-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.12
Rot. Bonds2

About 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine

2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine (PubChem CID 3029678) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine.

Molecular Properties

Compound Name2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine
PubChem CID3029678
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine
SMILESCCC1OC(C)CN1N=O
InChIInChI=1S/C6H12N2O2/c1-3-6-8(7-9)4-5(2)10-6/h5-6H,3-4H2,1-2H3
InChIKeyMGWMSESWDVZKRI-UHFFFAOYSA-N
XLogP1.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine?
The IUPAC name of 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine (CID 3029678) is 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine.
What is the SMILES notation for 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine?
The canonical SMILES for 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine is CCC1OC(C)CN1N=O.
What is the InChIKey of 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine?
The InChIKey is MGWMSESWDVZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-6-8(7-9)4-5(2)10-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine?
2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine has a molecular weight of 144.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine is sourced from PubChem (CID 3029678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).