carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium

C5H17N2O7Y- — CID 162066332

IUPACcarbanide;methane;methoxymethyl nitrate;nitric acid;yttrium
SMILESC.C.COCO[N+](=O)[O-].O=[N+]([O-])O.[CH3-].[Y]
InChIInChI=1S/C2H5NO4.2CH4.CH3.HNO3.Y/c1-6-2-7-3(4)5;;;;2-1(3)4;/h2H2,1H3;2*1H4;1H3;(H,2,3,4);/q;;;-1;;
InChIKeyAMCJQUHEXUZEAQ-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.17
Rot. Bonds3

About carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium

carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium (PubChem CID 162066332) has the molecular formula C5H17N2O7Y- and a molecular weight of 306.10 g/mol. Its IUPAC name is carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium.

Molecular Properties

Compound Namecarbanide;methane;methoxymethyl nitrate;nitric acid;yttrium
PubChem CID162066332
Molecular FormulaC5H17N2O7Y-
Molecular Weight306.10 g/mol
Exact Mass306.01
IUPAC Namecarbanide;methane;methoxymethyl nitrate;nitric acid;yttrium
SMILESC.C.COCO[N+](=O)[O-].O=[N+]([O-])O.[CH3-].[Y]
InChIInChI=1S/C2H5NO4.2CH4.CH3.HNO3.Y/c1-6-2-7-3(4)5;;;;2-1(3)4;/h2H2,1H3;2*1H4;1H3;(H,2,3,4);/q;;;-1;;
InChIKeyAMCJQUHEXUZEAQ-UHFFFAOYSA-N
XLogP1.17
TPSA124.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium 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 carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium?
The IUPAC name of carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium (CID 162066332) is carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium.
What is the SMILES notation for carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium?
The canonical SMILES for carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium is C.C.COCO[N+](=O)[O-].O=[N+]([O-])O.[CH3-].[Y].
What is the InChIKey of carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium?
The InChIKey is AMCJQUHEXUZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4.2CH4.CH3.HNO3.Y/c1-6-2-7-3(4)5;;;;2-1(3)4;/h2H2,1H3;2*1H4;1H3;(H,2,3,4);/q;;;-1;;.
What are the key properties of carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium?
carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium has a molecular weight of 306.10 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;methoxymethyl nitrate;nitric acid;yttrium is sourced from PubChem (CID 162066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).