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

C10H16N4O3 — CID 18094975

IUPAC2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
SMILESCC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)O1
InChIInChI=1S/C10H16N4O3/c1-7-4-13(5-8(2)17-7)10-9(14(15)16)11-6-12(10)3/h6-8H,4-5H2,1-3H3
InChIKeyGYTIQHLNHOXQJH-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.94
Rot. Bonds2

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

2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine (PubChem CID 18094975) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
PubChem CID18094975
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine
SMILESCC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)O1
InChIInChI=1S/C10H16N4O3/c1-7-4-13(5-8(2)17-7)10-9(14(15)16)11-6-12(10)3/h6-8H,4-5H2,1-3H3
InChIKeyGYTIQHLNHOXQJH-UHFFFAOYSA-N
XLogP0.94
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.94
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 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine (CID 18094975) is 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine is CC1CN(c2c([N+](=O)[O-])ncn2C)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
The InChIKey is GYTIQHLNHOXQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-4-13(5-8(2)17-7)10-9(14(15)16)11-6-12(10)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine?
2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine has a molecular weight of 240.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)morpholine is sourced from PubChem (CID 18094975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).