2-ethyl-1-propyl-1H-imidazol-1-ium nitrate

C8H15N3O3 — CID 140673851

IUPAC2-ethyl-1-propyl-1H-imidazol-1-ium nitrate
SMILESCCC[NH+]1C=CN=C1CC.O=[N+]([O-])[O-]
InChIInChI=1S/C8H14N2.NO3/c1-3-6-10-7-5-9-8(10)4-2;2-1(3)4/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1
InChIKeyWUXYWTIVCGBUHM-UHFFFAOYSA-O
MW201.23 g/mol
LogP0.34
Rot. Bonds3

About 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate

2-ethyl-1-propyl-1H-imidazol-1-ium nitrate (PubChem CID 140673851) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate.

Molecular Properties

Compound Name2-ethyl-1-propyl-1H-imidazol-1-ium nitrate
PubChem CID140673851
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-ethyl-1-propyl-1H-imidazol-1-ium nitrate
SMILESCCC[NH+]1C=CN=C1CC.O=[N+]([O-])[O-]
InChIInChI=1S/C8H14N2.NO3/c1-3-6-10-7-5-9-8(10)4-2;2-1(3)4/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1
InChIKeyWUXYWTIVCGBUHM-UHFFFAOYSA-O
XLogP0.34
TPSA83.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-butyl-1-methyl-1H-imidazol-1-ium nitrate
CID 117833753
1-ethyl-2,4-dimethyl-1H-imidazol-1-ium nitrate
CID 118061880
2-hexyl-1-methyl-1H-imidazol-1-ium nitrate
CID 118062628
2-ethyl-1-methyl-1H-imidazol-1-ium nitrate
CID 118062902
1-methyl-2-propyl-1H-imidazol-1-ium nitrate
CID 140673852
2-butyl-1-ethyl-1H-imidazol-1-ium nitrate
CID 140673857
2-methyl-1-propyl-1H-imidazol-1-ium nitrate
CID 140673858
1-methyl-2-pentyl-1H-imidazol-1-ium nitrate
CID 140673891
1,2-diethyl-1H-imidazol-1-ium
CID 148246804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate?
The IUPAC name of 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate (CID 140673851) is 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate.
What is the SMILES notation for 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate?
The canonical SMILES for 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate is CCC[NH+]1C=CN=C1CC.O=[N+]([O-])[O-].
What is the InChIKey of 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate?
The InChIKey is WUXYWTIVCGBUHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.NO3/c1-3-6-10-7-5-9-8(10)4-2;2-1(3)4/h5,7H,3-4,6H2,1-2H3;/q;-1/p+1.
What are the key properties of 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate?
2-ethyl-1-propyl-1H-imidazol-1-ium nitrate has a molecular weight of 201.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propyl-1H-imidazol-1-ium nitrate is sourced from PubChem (CID 140673851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).