1,5-dimethylpyrrolidin-2-one;nitric acid

C6H12N2O4 — CID 69230280

IUPAC1,5-dimethylpyrrolidin-2-one;nitric acid
SMILESCC1CCC(=O)N1C.O=[N+]([O-])O
InChIInChI=1S/C6H11NO.HNO3/c1-5-3-4-6(8)7(5)2;2-1(3)4/h5H,3-4H2,1-2H3;(H,2,3,4)
InChIKeyIGICAXLTLFCAPF-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.28
Rot. Bonds

About 1,5-dimethylpyrrolidin-2-one;nitric acid

1,5-dimethylpyrrolidin-2-one;nitric acid (PubChem CID 69230280) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1,5-dimethylpyrrolidin-2-one;nitric acid.

Molecular Properties

Compound Name1,5-dimethylpyrrolidin-2-one;nitric acid
PubChem CID69230280
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1,5-dimethylpyrrolidin-2-one;nitric acid
SMILESCC1CCC(=O)N1C.O=[N+]([O-])O
InChIInChI=1S/C6H11NO.HNO3/c1-5-3-4-6(8)7(5)2;2-1(3)4/h5H,3-4H2,1-2H3;(H,2,3,4)
InChIKeyIGICAXLTLFCAPF-UHFFFAOYSA-N
XLogP0.28
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
1-methylpyrrolidin-2-one;nitric acid
CID 71426471
1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene
CID 142809226
1-methylpiperidin-4-ol;nitric acid
CID 69230508
5-bromo-1-methylpyrrolidin-2-one
CID 123191216
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one
CID 163644073
(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
CID 130735003
(5R)-5-methyl-1-(methylamino)pyrrolidin-2-one
CID 148786842
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
1,5-dimethylpyrrolidine-2-thione
CID 72552176

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrrolidin-2-one;nitric acid?
The IUPAC name of 1,5-dimethylpyrrolidin-2-one;nitric acid (CID 69230280) is 1,5-dimethylpyrrolidin-2-one;nitric acid.
What is the SMILES notation for 1,5-dimethylpyrrolidin-2-one;nitric acid?
The canonical SMILES for 1,5-dimethylpyrrolidin-2-one;nitric acid is CC1CCC(=O)N1C.O=[N+]([O-])O.
What is the InChIKey of 1,5-dimethylpyrrolidin-2-one;nitric acid?
The InChIKey is IGICAXLTLFCAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.HNO3/c1-5-3-4-6(8)7(5)2;2-1(3)4/h5H,3-4H2,1-2H3;(H,2,3,4).
What are the key properties of 1,5-dimethylpyrrolidin-2-one;nitric acid?
1,5-dimethylpyrrolidin-2-one;nitric acid has a molecular weight of 176.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrrolidin-2-one;nitric acid is sourced from PubChem (CID 69230280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).