5-butyl-2-ethyl-1H-imidazole;nitric acid

C9H17N3O3 — CID 174876419

IUPAC5-butyl-2-ethyl-1H-imidazole;nitric acid
SMILESCCCCc1cnc(CC)[nH]1.O=[N+]([O-])O
InChIInChI=1S/C9H16N2.HNO3/c1-3-5-6-8-7-10-9(4-2)11-8;2-1(3)4/h7H,3-6H2,1-2H3,(H,10,11);(H,2,3,4)
InChIKeyNCKLIUCKMOZSRP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.97
Rot. Bonds4

About 5-butyl-2-ethyl-1H-imidazole;nitric acid

5-butyl-2-ethyl-1H-imidazole;nitric acid (PubChem CID 174876419) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-butyl-2-ethyl-1H-imidazole;nitric acid.

Molecular Properties

Compound Name5-butyl-2-ethyl-1H-imidazole;nitric acid
PubChem CID174876419
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name5-butyl-2-ethyl-1H-imidazole;nitric acid
SMILESCCCCc1cnc(CC)[nH]1.O=[N+]([O-])O
InChIInChI=1S/C9H16N2.HNO3/c1-3-5-6-8-7-10-9(4-2)11-8;2-1(3)4/h7H,3-6H2,1-2H3,(H,10,11);(H,2,3,4)
InChIKeyNCKLIUCKMOZSRP-UHFFFAOYSA-N
XLogP1.97
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-butyl-2-ethyl-1H-imidazole;nitric acid?
The IUPAC name of 5-butyl-2-ethyl-1H-imidazole;nitric acid (CID 174876419) is 5-butyl-2-ethyl-1H-imidazole;nitric acid.
What is the SMILES notation for 5-butyl-2-ethyl-1H-imidazole;nitric acid?
The canonical SMILES for 5-butyl-2-ethyl-1H-imidazole;nitric acid is CCCCc1cnc(CC)[nH]1.O=[N+]([O-])O.
What is the InChIKey of 5-butyl-2-ethyl-1H-imidazole;nitric acid?
The InChIKey is NCKLIUCKMOZSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.HNO3/c1-3-5-6-8-7-10-9(4-2)11-8;2-1(3)4/h7H,3-6H2,1-2H3,(H,10,11);(H,2,3,4).
What are the key properties of 5-butyl-2-ethyl-1H-imidazole;nitric acid?
5-butyl-2-ethyl-1H-imidazole;nitric acid has a molecular weight of 215.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-1H-imidazole;nitric acid is sourced from PubChem (CID 174876419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).