N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide

C13H24N4O2 — CID 54062959

IUPACN-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide
SMILESCCCCCCCCC=CN1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C13H24N4O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-14-13(16)15-17(18)19/h9,11H,2-8,10,12H2,1H3,(H,14,15)
InChIKeyMBAFPFXNXSXNRI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds9

About N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide

N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide (PubChem CID 54062959) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide.

Molecular Properties

Compound NameN-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide
PubChem CID54062959
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide
SMILESCCCCCCCCC=CN1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C13H24N4O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-14-13(16)15-17(18)19/h9,11H,2-8,10,12H2,1H3,(H,14,15)
InChIKeyMBAFPFXNXSXNRI-UHFFFAOYSA-N
XLogP2.70
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide?
The IUPAC name of N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide (CID 54062959) is N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide.
What is the SMILES notation for N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide?
The canonical SMILES for N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide is CCCCCCCCC=CN1CCN=C1N[N+](=O)[O-].
What is the InChIKey of N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide?
The InChIKey is MBAFPFXNXSXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-3-4-5-6-7-8-9-11-16-12-10-14-13(16)15-17(18)19/h9,11H,2-8,10,12H2,1H3,(H,14,15).
What are the key properties of N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide?
N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide has a molecular weight of 268.36 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dec-1-enyl-4,5-dihydroimidazol-2-yl)nitramide is sourced from PubChem (CID 54062959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).