(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine

C11H16N3O3+ — CID 7188372

IUPAC(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
SMILESC[C@@H]1CN(c2ccc([N+](=O)[O-])c[nH+]2)C[C@@H](C)O1
InChIInChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyOEWWQMFPALMWEF-RKDXNWHRSA-O
MW238.27 g/mol
LogP1.02
Rot. Bonds2

About (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine

(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine (PubChem CID 7188372) has the molecular formula C11H16N3O3+ and a molecular weight of 238.27 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
PubChem CID7188372
Molecular FormulaC11H16N3O3+
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
SMILESC[C@@H]1CN(c2ccc([N+](=O)[O-])c[nH+]2)C[C@@H](C)O1
InChIInChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyOEWWQMFPALMWEF-RKDXNWHRSA-O
XLogP1.02
TPSA69.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
CID 7188368
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 7873205
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
(2S,6R)-4-(2-ethyl-4-nitrophenyl)-2,6-dimethylmorpholine
CID 100804874
3-(2,6-dimethylmorpholin-4-yl)-5-nitroaniline
CID 80764863
4-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 7230336
(2-amino-5-nitrophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104890954
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
(2S,6S)-2,6-dimethyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]morpholine
CID 777785
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132314

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine (CID 7188372) is (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine is C[C@@H]1CN(c2ccc([N+](=O)[O-])c[nH+]2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine?
The InChIKey is OEWWQMFPALMWEF-RKDXNWHRSA-O. The full InChI is InChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3/p+1/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine?
(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine has a molecular weight of 238.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine is sourced from PubChem (CID 7188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).