(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone

C9H12N4O4 — CID 125474981

IUPAC(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone
SMILESCn1c([N+](=O)[O-])cnc1C(=O)N1CCOCC1
InChIInChI=1S/C9H12N4O4/c1-11-7(13(15)16)6-10-8(11)9(14)12-2-4-17-5-3-12/h6H,2-5H2,1H3
InChIKeyGDJTYEXLQOQIMW-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.20
Rot. Bonds2

About (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone

(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone (PubChem CID 125474981) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone
PubChem CID125474981
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone
SMILESCn1c([N+](=O)[O-])cnc1C(=O)N1CCOCC1
InChIInChI=1S/C9H12N4O4/c1-11-7(13(15)16)6-10-8(11)9(14)12-2-4-17-5-3-12/h6H,2-5H2,1H3
InChIKeyGDJTYEXLQOQIMW-UHFFFAOYSA-N
XLogP-0.20
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.20
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'}

Analyze (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 23009
CID 23009
CID 777925
CID 777925
CID 13909
CID 13909
CID 209345
CID 209345
CID 3103713
CID 3103713
CID 155510862
CID 155510862
CID 83211
CID 83211
CID 25792
CID 25792
CID 209351
CID 209351
CID 76315690
CID 76315690
CID 125500274
CID 125500274
CID 134157732
CID 134157732

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone (CID 125474981) is (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone is Cn1c([N+](=O)[O-])cnc1C(=O)N1CCOCC1.
What is the InChIKey of (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is GDJTYEXLQOQIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-11-7(13(15)16)6-10-8(11)9(14)12-2-4-17-5-3-12/h6H,2-5H2,1H3.
What are the key properties of (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone?
(1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 240.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 125474981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).