(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone

C11H18N3O2+ — CID 43593134

IUPAC(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone
SMILESC[n+]1ccn(C(=O)N2CCOC(C)(C)C2)c1
InChIInChI=1S/C11H18N3O2/c1-11(2)8-13(6-7-16-11)10(15)14-5-4-12(3)9-14/h4-5,9H,6-8H2,1-3H3/q+1
InChIKeyBWRZIXGVTAXMQQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.39
Rot. Bonds

About (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone (PubChem CID 43593134) has the molecular formula C11H18N3O2+ and a molecular weight of 224.28 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone
PubChem CID43593134
Molecular FormulaC11H18N3O2+
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone
SMILESC[n+]1ccn(C(=O)N2CCOC(C)(C)C2)c1
InChIInChI=1S/C11H18N3O2/c1-11(2)8-13(6-7-16-11)10(15)14-5-4-12(3)9-14/h4-5,9H,6-8H2,1-3H3/q+1
InChIKeyBWRZIXGVTAXMQQ-UHFFFAOYSA-N
XLogP0.39
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone (CID 43593134) is (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone is C[n+]1ccn(C(=O)N2CCOC(C)(C)C2)c1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone?
The InChIKey is BWRZIXGVTAXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O2/c1-11(2)8-13(6-7-16-11)10(15)14-5-4-12(3)9-14/h4-5,9H,6-8H2,1-3H3/q+1.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone has a molecular weight of 224.28 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone is sourced from PubChem (CID 43593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).