N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide

C11H20N4O2 — CID 54244999

IUPACN-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide
SMILESCCCCC(=CN1CCN=C1N[N+](=O)[O-])CC
InChIInChI=1S/C11H20N4O2/c1-3-5-6-10(4-2)9-14-8-7-12-11(14)13-15(16)17/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQSPZBFYVCVTEKB-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.92
Rot. Bonds6

About N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide

N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 54244999) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID54244999
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide
SMILESCCCCC(=CN1CCN=C1N[N+](=O)[O-])CC
InChIInChI=1S/C11H20N4O2/c1-3-5-6-10(4-2)9-14-8-7-12-11(14)13-15(16)17/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQSPZBFYVCVTEKB-UHFFFAOYSA-N
XLogP1.92
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide (CID 54244999) is N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide is CCCCC(=CN1CCN=C1N[N+](=O)[O-])CC.
What is the InChIKey of N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide?
The InChIKey is QSPZBFYVCVTEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-6-10(4-2)9-14-8-7-12-11(14)13-15(16)17/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 240.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylhex-1-enyl)-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 54244999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).