(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane

C6H10N2O3 — CID 87170962

IUPAC(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane
SMILESO=NC[C@@H]1CC[C@H](N=O)CO1
InChIInChI=1S/C6H10N2O3/c9-7-3-6-2-1-5(8-10)4-11-6/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyGSMQJMORDILKRF-WDSKDSINSA-N
MW158.16 g/mol
LogP1.07
Rot. Bonds3

About (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane

(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane (PubChem CID 87170962) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane.

Molecular Properties

Compound Name(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane
PubChem CID87170962
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane
SMILESO=NC[C@@H]1CC[C@H](N=O)CO1
InChIInChI=1S/C6H10N2O3/c9-7-3-6-2-1-5(8-10)4-11-6/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyGSMQJMORDILKRF-WDSKDSINSA-N
XLogP1.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane?
The IUPAC name of (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane (CID 87170962) is (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane.
What is the SMILES notation for (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane?
The canonical SMILES for (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane is O=NC[C@@H]1CC[C@H](N=O)CO1.
What is the InChIKey of (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane?
The InChIKey is GSMQJMORDILKRF-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-7-3-6-2-1-5(8-10)4-11-6/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane?
(2S,5S)-5-nitroso-2-(nitrosomethyl)oxane has a molecular weight of 158.16 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-nitroso-2-(nitrosomethyl)oxane is sourced from PubChem (CID 87170962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).