N-(1-adamantyl)-N-nitronitramide

C10H15N3O4 — CID 14873925

IUPACN-(1-adamantyl)-N-nitronitramide
SMILESO=[N+]([O-])N([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15N3O4/c14-12(15)11(13(16)17)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKeyVYKSHQLWPQJUCO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.64
Rot. Bonds3

About N-(1-adamantyl)-N-nitronitramide

N-(1-adamantyl)-N-nitronitramide (PubChem CID 14873925) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1-adamantyl)-N-nitronitramide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-nitronitramide
PubChem CID14873925
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-(1-adamantyl)-N-nitronitramide
SMILESO=[N+]([O-])N([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15N3O4/c14-12(15)11(13(16)17)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKeyVYKSHQLWPQJUCO-UHFFFAOYSA-N
XLogP1.64
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
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-adamantyl)-N-nitronitramide?
The IUPAC name of N-(1-adamantyl)-N-nitronitramide (CID 14873925) is N-(1-adamantyl)-N-nitronitramide.
What is the SMILES notation for N-(1-adamantyl)-N-nitronitramide?
The canonical SMILES for N-(1-adamantyl)-N-nitronitramide is O=[N+]([O-])N([N+](=O)[O-])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-nitronitramide?
The InChIKey is VYKSHQLWPQJUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-12(15)11(13(16)17)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2.
What are the key properties of N-(1-adamantyl)-N-nitronitramide?
N-(1-adamantyl)-N-nitronitramide has a molecular weight of 241.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-nitronitramide is sourced from PubChem (CID 14873925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).