zinc;bis(N-methylpropanamide);dinitrate

C8H18N4O8Zn — CID 56843871

IUPACzinc;bis(N-methylpropanamide);dinitrate
SMILESCCC(=O)NC.CCC(=O)NC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2]
InChIInChI=1S/2C4H9NO.2NO3.Zn/c2*1-3-4(6)5-2;2*2-1(3)4;/h2*3H2,1-2H3,(H,5,6);;;/q;;2*-1;+2
InChIKeyINDKVBSQEMVCAR-UHFFFAOYSA-N
MW363.64 g/mol
LogP-0.20
Rot. Bonds2

About zinc;bis(N-methylpropanamide);dinitrate

zinc;bis(N-methylpropanamide);dinitrate (PubChem CID 56843871) has the molecular formula C8H18N4O8Zn and a molecular weight of 363.64 g/mol. Its IUPAC name is zinc;bis(N-methylpropanamide);dinitrate.

Molecular Properties

Compound Namezinc;bis(N-methylpropanamide);dinitrate
PubChem CID56843871
Molecular FormulaC8H18N4O8Zn
Molecular Weight363.64 g/mol
Exact Mass362.04
IUPAC Namezinc;bis(N-methylpropanamide);dinitrate
SMILESCCC(=O)NC.CCC(=O)NC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2]
InChIInChI=1S/2C4H9NO.2NO3.Zn/c2*1-3-4(6)5-2;2*2-1(3)4;/h2*3H2,1-2H3,(H,5,6);;;/q;;2*-1;+2
InChIKeyINDKVBSQEMVCAR-UHFFFAOYSA-N
XLogP-0.20
TPSA190.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 zinc;bis(N-methylpropanamide);dinitrate?
The IUPAC name of zinc;bis(N-methylpropanamide);dinitrate (CID 56843871) is zinc;bis(N-methylpropanamide);dinitrate.
What is the SMILES notation for zinc;bis(N-methylpropanamide);dinitrate?
The canonical SMILES for zinc;bis(N-methylpropanamide);dinitrate is CCC(=O)NC.CCC(=O)NC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2].
What is the InChIKey of zinc;bis(N-methylpropanamide);dinitrate?
The InChIKey is INDKVBSQEMVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.2NO3.Zn/c2*1-3-4(6)5-2;2*2-1(3)4;/h2*3H2,1-2H3,(H,5,6);;;/q;;2*-1;+2.
What are the key properties of zinc;bis(N-methylpropanamide);dinitrate?
zinc;bis(N-methylpropanamide);dinitrate has a molecular weight of 363.64 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(N-methylpropanamide);dinitrate is sourced from PubChem (CID 56843871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).