N-[(5S,7R)-3-nitro-1-adamantyl]nitramide

C10H15N3O4 — CID 134984736

IUPACN-[(5S,7R)-3-nitro-1-adamantyl]nitramide
SMILESO=[N+]([O-])NC12C[C@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2
InChIInChI=1S/C10H15N3O4/c14-12(15)10-4-7-1-8(5-10)3-9(2-7,6-10)11-13(16)17/h7-8,11H,1-6H2/t7-,8+,9?,10?
InChIKeyYICYLPGHGPTKND-BQKDNTBBSA-N
MW241.25 g/mol
LogP1.14
Rot. Bonds3

About N-[(5S,7R)-3-nitro-1-adamantyl]nitramide

N-[(5S,7R)-3-nitro-1-adamantyl]nitramide (PubChem CID 134984736) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(5S,7R)-3-nitro-1-adamantyl]nitramide.

Molecular Properties

Compound NameN-[(5S,7R)-3-nitro-1-adamantyl]nitramide
PubChem CID134984736
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[(5S,7R)-3-nitro-1-adamantyl]nitramide
SMILESO=[N+]([O-])NC12C[C@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2
InChIInChI=1S/C10H15N3O4/c14-12(15)10-4-7-1-8(5-10)3-9(2-7,6-10)11-13(16)17/h7-8,11H,1-6H2/t7-,8+,9?,10?
InChIKeyYICYLPGHGPTKND-BQKDNTBBSA-N
XLogP1.14
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.14
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-[(5S,7R)-3-nitro-1-adamantyl]nitramide?
The IUPAC name of N-[(5S,7R)-3-nitro-1-adamantyl]nitramide (CID 134984736) is N-[(5S,7R)-3-nitro-1-adamantyl]nitramide.
What is the SMILES notation for N-[(5S,7R)-3-nitro-1-adamantyl]nitramide?
The canonical SMILES for N-[(5S,7R)-3-nitro-1-adamantyl]nitramide is O=[N+]([O-])NC12C[C@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2.
What is the InChIKey of N-[(5S,7R)-3-nitro-1-adamantyl]nitramide?
The InChIKey is YICYLPGHGPTKND-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-12(15)10-4-7-1-8(5-10)3-9(2-7,6-10)11-13(16)17/h7-8,11H,1-6H2/t7-,8+,9?,10?.
What are the key properties of N-[(5S,7R)-3-nitro-1-adamantyl]nitramide?
N-[(5S,7R)-3-nitro-1-adamantyl]nitramide has a molecular weight of 241.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-3-nitro-1-adamantyl]nitramide is sourced from PubChem (CID 134984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).