(2R,6S)-2,6-dimethyl-4-nitrosomorpholine

C6H12N2O2 — CID 3035035

IUPAC(2R,6S)-2,6-dimethyl-4-nitrosomorpholine
SMILESC[C@@H]1CN(N=O)C[C@H](C)O1
InChIInChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyDPYMAXOKJUBANR-OLQVQODUSA-N
MW144.17 g/mol
LogP0.78
Rot. Bonds1

About (2R,6S)-2,6-dimethyl-4-nitrosomorpholine

(2R,6S)-2,6-dimethyl-4-nitrosomorpholine (PubChem CID 3035035) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-nitrosomorpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-nitrosomorpholine
PubChem CID3035035
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2R,6S)-2,6-dimethyl-4-nitrosomorpholine
SMILESC[C@@H]1CN(N=O)C[C@H](C)O1
InChIInChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyDPYMAXOKJUBANR-OLQVQODUSA-N
XLogP0.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.78
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 (2R,6S)-2,6-dimethyl-4-nitrosomorpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-nitrosomorpholine (CID 3035035) is (2R,6S)-2,6-dimethyl-4-nitrosomorpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-nitrosomorpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-nitrosomorpholine is C[C@@H]1CN(N=O)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-nitrosomorpholine?
The InChIKey is DPYMAXOKJUBANR-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-nitrosomorpholine?
(2R,6S)-2,6-dimethyl-4-nitrosomorpholine has a molecular weight of 144.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-nitrosomorpholine is sourced from PubChem (CID 3035035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).