N-(3,3-dinitropropyl)nitramide

C3H6N4O6 — CID 23423910

IUPACN-(3,3-dinitropropyl)nitramide
SMILESO=[N+]([O-])NCCC([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C3H6N4O6/c8-5(9)3(6(10)11)1-2-4-7(12)13/h3-4H,1-2H2
InChIKeyHKUUWXQRKACGIN-UHFFFAOYSA-N
MW194.10 g/mol
LogP-0.96
Rot. Bonds6

About N-(3,3-dinitropropyl)nitramide

N-(3,3-dinitropropyl)nitramide (PubChem CID 23423910) has the molecular formula C3H6N4O6 and a molecular weight of 194.10 g/mol. Its IUPAC name is N-(3,3-dinitropropyl)nitramide.

Molecular Properties

Compound NameN-(3,3-dinitropropyl)nitramide
PubChem CID23423910
Molecular FormulaC3H6N4O6
Molecular Weight194.10 g/mol
Exact Mass194.03
IUPAC NameN-(3,3-dinitropropyl)nitramide
SMILESO=[N+]([O-])NCCC([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C3H6N4O6/c8-5(9)3(6(10)11)1-2-4-7(12)13/h3-4H,1-2H2
InChIKeyHKUUWXQRKACGIN-UHFFFAOYSA-N
XLogP-0.96
TPSA141.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'}

Analyze N-(3,3-dinitropropyl)nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dinitropropyl)nitramide?
The IUPAC name of N-(3,3-dinitropropyl)nitramide (CID 23423910) is N-(3,3-dinitropropyl)nitramide.
What is the SMILES notation for N-(3,3-dinitropropyl)nitramide?
The canonical SMILES for N-(3,3-dinitropropyl)nitramide is O=[N+]([O-])NCCC([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-(3,3-dinitropropyl)nitramide?
The InChIKey is HKUUWXQRKACGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O6/c8-5(9)3(6(10)11)1-2-4-7(12)13/h3-4H,1-2H2.
What are the key properties of N-(3,3-dinitropropyl)nitramide?
N-(3,3-dinitropropyl)nitramide has a molecular weight of 194.10 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dinitropropyl)nitramide is sourced from PubChem (CID 23423910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).