4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine

C9H14N4O3 — CID 23009

IUPAC4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
SMILESO=[N+]([O-])c1cncn1CCN1CCOCC1
InChIInChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
InChIKeyMDJFHRLTPRPZLY-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.12
Rot. Bonds4

About 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine

4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine (PubChem CID 23009) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
PubChem CID23009
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
SMILESO=[N+]([O-])c1cncn1CCN1CCOCC1
InChIInChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
InChIKeyMDJFHRLTPRPZLY-UHFFFAOYSA-N
XLogP0.12
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.12
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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Related Compounds

Metronidazole
CID 4173
Hydroxymetronidazole
CID 121858
Morinidazole
CID 11644726
Metronidazole Hydrochloride
CID 68592
2-Hydroxymethyl-1-methyl-5-nitroimidazole
CID 557356
2-(2-Methyl-5-Nitro-1h-Imidazol-1-Yl)ethyl Sulfamate
CID 72712917
Isometronidazole
CID 69715
2,4-Dinitroimidazole-1-ethanol
CID 125775
(1-Methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone
CID 125474981
1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole
CID 86063
2-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethoxy)ethanol
CID 204324
Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
CID 13909

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine (CID 23009) is 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine is O=[N+]([O-])c1cncn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine?
The InChIKey is MDJFHRLTPRPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2.
What are the key properties of 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine?
4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine has a molecular weight of 226.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 23009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).