N-(3-bromo-1-adamantyl)nitramide

C10H15BrN2O2 — CID 15877758

IUPACN-(3-bromo-1-adamantyl)nitramide
SMILESO=[N+]([O-])NC12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C10H15BrN2O2/c11-9-2-7-1-8(3-9)5-10(4-7,6-9)12-13(14)15/h7-8,12H,1-6H2
InChIKeyZCFMPLSAPFQYCW-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.25
Rot. Bonds2

About N-(3-bromo-1-adamantyl)nitramide

N-(3-bromo-1-adamantyl)nitramide (PubChem CID 15877758) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N-(3-bromo-1-adamantyl)nitramide.

Molecular Properties

Compound NameN-(3-bromo-1-adamantyl)nitramide
PubChem CID15877758
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC NameN-(3-bromo-1-adamantyl)nitramide
SMILESO=[N+]([O-])NC12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C10H15BrN2O2/c11-9-2-7-1-8(3-9)5-10(4-7,6-9)12-13(14)15/h7-8,12H,1-6H2
InChIKeyZCFMPLSAPFQYCW-UHFFFAOYSA-N
XLogP2.25
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(3-bromo-1-adamantyl)nitramide?
The IUPAC name of N-(3-bromo-1-adamantyl)nitramide (CID 15877758) is N-(3-bromo-1-adamantyl)nitramide.
What is the SMILES notation for N-(3-bromo-1-adamantyl)nitramide?
The canonical SMILES for N-(3-bromo-1-adamantyl)nitramide is O=[N+]([O-])NC12CC3CC(CC(Br)(C3)C1)C2.
What is the InChIKey of N-(3-bromo-1-adamantyl)nitramide?
The InChIKey is ZCFMPLSAPFQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c11-9-2-7-1-8(3-9)5-10(4-7,6-9)12-13(14)15/h7-8,12H,1-6H2.
What are the key properties of N-(3-bromo-1-adamantyl)nitramide?
N-(3-bromo-1-adamantyl)nitramide has a molecular weight of 275.15 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-adamantyl)nitramide is sourced from PubChem (CID 15877758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).