1-methylpyrrolidin-2-one;nickel(2+);dinitrate

C5H9N3NiO7 — CID 175425865

IUPAC1-methylpyrrolidin-2-one;nickel(2+);dinitrate
SMILESCN1CCCC1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/C5H9NO.2NO3.Ni/c1-6-4-2-3-5(6)7;2*2-1(3)4;/h2-4H2,1H3;;;/q;2*-1;+2
InChIKeyMDJPUPLDJZSOIQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP-0.24
Rot. Bonds

About 1-methylpyrrolidin-2-one;nickel(2+);dinitrate

1-methylpyrrolidin-2-one;nickel(2+);dinitrate (PubChem CID 175425865) has the molecular formula C5H9N3NiO7 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;nickel(2+);dinitrate.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;nickel(2+);dinitrate
PubChem CID175425865
Molecular FormulaC5H9N3NiO7
Molecular Weight281.83 g/mol
Exact Mass280.98
IUPAC Name1-methylpyrrolidin-2-one;nickel(2+);dinitrate
SMILESCN1CCCC1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/C5H9NO.2NO3.Ni/c1-6-4-2-3-5(6)7;2*2-1(3)4;/h2-4H2,1H3;;;/q;2*-1;+2
InChIKeyMDJPUPLDJZSOIQ-UHFFFAOYSA-N
XLogP-0.24
TPSA152.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 71426471
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CID 170438379
CID 174856842
CID 174856842
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
1-methylpyrrolidin-2-one;urea
CID 141281161
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562
methanesulfonic acid;1-methylpyrrolidin-2-one;hydrate
CID 131725232
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
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CID 175577186

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;nickel(2+);dinitrate?
The IUPAC name of 1-methylpyrrolidin-2-one;nickel(2+);dinitrate (CID 175425865) is 1-methylpyrrolidin-2-one;nickel(2+);dinitrate.
What is the SMILES notation for 1-methylpyrrolidin-2-one;nickel(2+);dinitrate?
The canonical SMILES for 1-methylpyrrolidin-2-one;nickel(2+);dinitrate is CN1CCCC1=O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].
What is the InChIKey of 1-methylpyrrolidin-2-one;nickel(2+);dinitrate?
The InChIKey is MDJPUPLDJZSOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.2NO3.Ni/c1-6-4-2-3-5(6)7;2*2-1(3)4;/h2-4H2,1H3;;;/q;2*-1;+2.
What are the key properties of 1-methylpyrrolidin-2-one;nickel(2+);dinitrate?
1-methylpyrrolidin-2-one;nickel(2+);dinitrate has a molecular weight of 281.83 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;nickel(2+);dinitrate is sourced from PubChem (CID 175425865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).