2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine

C11H18N4O3 — CID 47430268

IUPAC2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
SMILESCC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)(C)O1
InChIInChI=1S/C11H18N4O3/c1-8-5-14(6-11(2,3)18-8)10-9(15(16)17)12-7-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyNPDHFXIAVCIBEU-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.33
Rot. Bonds2

About 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine

2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine (PubChem CID 47430268) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
PubChem CID47430268
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
SMILESCC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)(C)O1
InChIInChI=1S/C11H18N4O3/c1-8-5-14(6-11(2,3)18-8)10-9(15(16)17)12-7-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyNPDHFXIAVCIBEU-UHFFFAOYSA-N
XLogP1.33
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The IUPAC name of 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine (CID 47430268) is 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine is CC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The InChIKey is NPDHFXIAVCIBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-5-14(6-11(2,3)18-8)10-9(15(16)17)12-7-13(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine has a molecular weight of 254.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine is sourced from PubChem (CID 47430268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).